SCHEMBL13733288

SCHEMBL13733288

CC(C)(C)OC(=O)N1C(=O)Cc2ccc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ESR2 Q92731 1/20 0.40
NOTUM Q6P988 2/20 0.40
BCHE P06276 1/20 0.40
ALDH1A1 P00352 1/20 0.39
AADAT Q8N5Z0 1/20 0.38
STS P08842 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP3A5 P20815 2/20 0.38
NR1H2 P55055 1/20 0.37
HSD17B3 P37058 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
OXTR P30559 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26647342 0.89 PDE5A (0.41) MEN1KMT2AESR2NOTUMBCHE
SCHEMBL31219773 0.84 BCHE (0.40) MEN1KMT2AESR2NOTUMBCHE
SCHEMBL1223840 0.84 BCHE (0.40) MEN1KMT2AESR2NOTUMBCHE
SCHEMBL16858598 0.84 BCHE (0.40) ESR2NOTUMBCHENR1H2
SCHEMBL24885179 0.81 SMN1; SMN2 (0.43) BCHEALDH1A1MAPT
SCHEMBL29541811 0.80 NOTUM (0.62) MEN1KMT2ANOTUMBCHEALDH1A1
SCHEMBL2419240 0.80 NOTUM (0.62) MEN1KMT2ANOTUMBCHEALDH1A1
SCHEMBL3526981 0.80 NOTUM (0.61) MEN1KMT2ANOTUMAADATHSD17B3
SCHEMBL29875631 0.80 NOTUM (0.61) MEN1KMT2ANOTUMAADATHSD17B3
SCHEMBL28372035 0.80 NR1I3 (0.52) MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2024-06-20 US disclosed
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2024-01-09 US disclosed
US-20210122749-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2021-04-29 US disclosed
EP-2699562-B1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LTD (GB) 2020-12-23 EP disclosed
US-20170334907-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2017-11-23 US disclosed
EP-2910547-B1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG UNIV OKAYAMA (JP) 2017-06-14 EP disclosed
EP-2910547-B1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG UNIV OKAYAMA (JP) 2017-06-14 EP disclosed
US-9676768-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2017-06-13 US disclosed
US-9512075-B2 Compound; tautomer and geometric isomer thereof; salt of said compound, tautomer, or geometric isomer; method for manufacturing said compound, tautomer, isomer, or salt; antimicrobial agent; and anti-infective drug OKAYAMA UNIVERSITY (JP) 2016-12-06 US disclosed
US-9512075-B2 Compound; tautomer and geometric isomer thereof; salt of said compound, tautomer, or geometric isomer; method for manufacturing said compound, tautomer, isomer, or salt; antimicrobial agent; and anti-infective drug OKAYAMA UNIVERSITY (JP) 2016-12-06 US disclosed
US-9512075-B2 Compound; tautomer and geometric isomer thereof; salt of said compound, tautomer, or geometric isomer; method for manufacturing said compound, tautomer, isomer, or salt; antimicrobial agent; and anti-infective drug OKAYAMA UNIVERSITY (JP) 2016-12-06 US disclosed
US-20150291586-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2015-10-15 US disclosed
US-20150291523-A1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-10-15 US disclosed
US-20150291523-A1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-10-15 US disclosed
US-20150291523-A1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-10-15 US disclosed
EP-2910547-A1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG Okayama University (JP) 2015-08-26 EP disclosed
US-9018214-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2015-04-28 US disclosed
US-20140179666-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2014-06-26 US disclosed
EP-2699562-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY Astex Therapeutics Limited (GB) 2014-02-26 EP disclosed
WO-2012143726-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2012-10-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170334907-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 MEN1 457/4885KMT2A 2579/4885ESR2 433/4885
US-20150291523-A1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG FURIN, ACE, SHARPIN MEN1 1225/4885KMT2A 2553/4885ESR2 4788/4885
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 MEN1 457/4885KMT2A 2579/4885ESR2 433/4885
US-20210122749-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 MEN1 457/4885KMT2A 2579/4885ESR2 433/4885
US-20150291586-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 MEN1 457/4885KMT2A 2579/4885ESR2 433/4885
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 MEN1 457/4885KMT2A 2579/4885ESR2 433/4885
US-20140179666-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 MEN1 457/4885KMT2A 2579/4885ESR2 433/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.