SCHEMBL116483

SCHEMBL116483

CCOC(=O)[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
CTSL P07711 1/20 0.40
FKBP1A P62942 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MAPT P10636 3/20 0.38
HSD17B10 Q99714 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL38660321 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL25204927 0.88 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL14294773 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL18336025 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL13625758 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL2572675 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL13625755 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL116260 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL115093 0.86 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL12125859 0.86 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TSHRCTSL

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US 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 (2 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 MEN1 3668/4885KMT2A 4780/4885ALDH1A1 1678/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R MEN1 798/4885KMT2A 4028/4885ALDH1A1 4209/4885

“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.