SCHEMBL1709264

SCHEMBL1709264

CC(C)(C)C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
HDAC6 Q9UBN7 1/20 0.63
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA14 Q9ULX7 1/20 0.61
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 1/20 0.52
CNR2 P34972 1/20 0.51
TP53 P04637 1/20 0.50

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
SCHEMBL8949197 0.84 MEN1 (0.58) MEN1KMT2AHDAC6CYP2C19CYP1A2
SCHEMBL9334060 0.84 MEN1 (0.58) MEN1KMT2AHDAC6CYP2C19CYP1A2
SCHEMBL9334064 0.84 MEN1 (0.58) MEN1KMT2AHDAC6CYP2C19CYP1A2
SCHEMBL14253969 0.83 HDAC6 (0.65) MEN1KMT2AHDAC6CA1CA2
SCHEMBL20363332 0.82 MEN1 (0.54) MEN1KMT2AHDAC6CYP2C19CYP1A2
SCHEMBL29037519 0.81 HDAC6 (0.68) MEN1KMT2AHDAC6CA1CA2
SCHEMBL2580217 0.81 CA1 (0.66) HDAC6CA1CA2CA7CA14
SCHEMBL7767276 0.81 MEN1 (0.63) MEN1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL6922051 0.81 CA1 (0.66) HDAC6CA1CA2CA7CA14
SCHEMBL1709292 0.81 HPGD (0.65) KMT2AHDAC6CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
EP-2718284-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2014-04-16 EP disclosed
WO-2013186692-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-12-19 WO disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 US disclosed
EP-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP 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 (3 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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO MEN1 1064/4885KMT2A 3392/4885HDAC6 1696/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC MEN1 4859/4885KMT2A 4575/4885HDAC6 193/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO MEN1 1064/4885KMT2A 3392/4885HDAC6 1696/4885

“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.