SCHEMBL704175

SCHEMBL704175

COC(=O)c1cccc2c1c(C=O)nn2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CFTR P13569 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 4/20 0.40
POLB P06746 3/20 0.40
ATM Q13315 1/20 0.40
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
KDR P35968 1/20 0.37
HTR3A P46098 1/20 0.37
TRPA1 O75762 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL27988705 0.84 HSD17B10 (0.38) ALDH1A1MAPTGAAHSD17B10KMT2A
SCHEMBL699920 0.83 KMT2A (0.37) NR4A2ALDH1A1MAPTGAAHSD17B10
SCHEMBL701351 0.83 NR4A2 (0.42) NR4A2ALDH1A1MAPTGAAHSD17B10
SCHEMBL702834 0.81 CCR1 (0.45) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL28794096 0.81 ALDH1A1 (0.51) NR4A2ALDH1A1MAPTGAAHSD17B10
SCHEMBL701110 0.80 KDM4E (0.40) NR4A2ALDH1A1MAPTGAAHSD17B10
SCHEMBL20604795 0.80 CYP1A2 (0.45) NR4A2ALDH1A1MAPTGAAHSD17B10
SCHEMBL701577 0.80 KDM4E (0.35) NR4A2ALDH1A1MAPTGAAKMT2A
SCHEMBL701323 0.79 CYP1A2 (0.44) ALDH1A1MAPTGAAHSD17B10KMT2A
SCHEMBL702466 0.78 TDP1 (0.34) NR4A2ALDH1A1MAPTGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710047-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-21 US disclosed
US-8501729-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-08-06 US disclosed
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-30 US disclosed
US-8124600-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-28 US disclosed
EP-2310019-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2011-04-20 EP disclosed
WO-2009155054-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-23 WO disclosed
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-03 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 (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-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B NR4A2 3653/4885ALDH1A1 2992/4885MAPT 4774/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B NR4A2 3653/4885ALDH1A1 2992/4885MAPT 4774/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B NR4A2 3653/4885ALDH1A1 2992/4885MAPT 4774/4885

“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.