SCHEMBL4938762

SCHEMBL4938762

CCC(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.68
POLB P06746 3/20 0.68
LMNA P02545 1/20 0.68
TSHR P16473 1/20 0.68
HSD17B10 Q99714 1/20 0.68
NOTUM Q6P988 1/20 0.67
HDAC1 Q13547 5/20 0.67
HDAC2 Q92769 5/20 0.67
HDAC3 O15379 4/20 0.67
HDAC4 P56524 4/20 0.67
HDAC7 Q8WUI4 4/20 0.67
HDAC10 Q969S8 4/20 0.67
HDAC11 Q96DB2 4/20 0.67
HDAC8 Q9BY41 4/20 0.67
HDAC6 Q9UBN7 4/20 0.67
HDAC9 Q9UKV0 4/20 0.67
HDAC5 Q9UQL6 4/20 0.67
KDM4E B2RXH2 3/20 0.65
KDR P35968 2/20 0.62
NPC1 O15118 5/20 0.62

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
Propionic Acid SCHEMBL9670302 0.94 HDAC1 (0.64) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL9670295 0.94 RAB9A (0.62) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL14461305 0.89 HDAC1 (0.72) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL4929814 0.88 HDAC1 (0.71) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL12588094 0.86 HDAC6 (0.79) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL20509078 0.86 HDAC1 (0.76) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL2639284 0.85 HDAC1 (0.74) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL21296662 0.85 HDAC1 (0.67) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL2639283 0.85 HDAC1 (0.67) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL4855534 0.85 HDAC6 (0.67) RAB9APOLBLMNATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018144-A1 Synthesis of EGFR Modulators THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-01-18 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
WO-2011143772-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 WO disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
US-5650427-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1997-07-22 US disclosed
US-5461061-A Antidepressants WIKSTROM HAKAN V (NL) 1995-10-24 US disclosed
US-5288748-A Antidepressants THE UPJOHN COMPANY (US) 1994-02-22 US disclosed
EP-0510068-A1 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS PHARMACIA & UPJOHN COMPANY (US) 1992-10-28 EP disclosed
WO-1991011435-A2 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS THE UPJOHN COMPANY (US) 1991-08-08 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 (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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 RAB9A 1430/4885POLB 751/4885LMNA 2203/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 RAB9A 2453/4885POLB 4703/4885LMNA 4359/4885
US-20240018144-A1 Synthesis of EGFR Modulators EGFR, ERBB2, ERBB4 RAB9A 1508/4885POLB 2557/4885LMNA 4776/4885

“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.