SCHEMBL701178

SCHEMBL701178

COC(=O)c1cccc2c1ccn2-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
NR4A2 P43354 2/20 0.53
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 7/20 0.51
MAPT P10636 6/20 0.51
HPGD P15428 5/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP2C9 P11712 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.51
NPC1 O15118 1/20 0.51
ALOX12 P18054 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP3A4 P08684 1/20 0.51
LMNA P02545 2/20 0.47
HSP90AA1 P07900 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL12070632 0.94 KMT2A (0.49) KMT2AMEN1NR4A2ALDH1A1KDM4E
SCHEMBL8290173 0.87 NR4A2 (0.69) KMT2AMEN1NR4A2ALDH1A1KDM4E
SCHEMBL16403236 0.86 HSP90AA1 (0.47) KMT2AMEN1NR4A2ALDH1A1KDM4E
SCHEMBL699301 0.84 KDM4E (0.51) KMT2AMEN1NR4A2ALDH1A1KDM4E
SCHEMBL2610313 0.83 KDM4E (0.50) ALDH1A1KDM4ECYP1A2CYP2C19CYP2C9
SCHEMBL18002566 0.81 NR4A2 (0.51) KMT2AMEN1NR4A2KDM4EMAPT
SCHEMBL15687165 0.81 HSP90AA1 (0.51) KMT2AMEN1NR4A2ALDH1A1MAPT
SCHEMBL3138816 0.81 ROCK1 (0.52) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL1887034 0.81 KDM4E (0.51) KMT2AMEN1NR4A2ALDH1A1KDM4E
SCHEMBL30593079 0.79 NR4A2 (0.51) KMT2ANR4A2ALDH1A1KDM4EMAPT

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 12 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
CN-102046176-B 5-HT3Receptor modulators, methods of preparation and uses thereof ALBANY MOLECULAR RES INC 2013-08-07 CN 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
CN-102046176-A 5-HT3Receptor modulators, methods of preparation and uses thereof ALBANY MOLECULAR RES INC 2011-05-04 CN disclosed
EP-2310019-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2011-04-20 EP disclosed
US-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US 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
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 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 (4 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 KMT2A 2954/4885MEN1 2184/4885NR4A2 3653/4885
US-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 KMT2A 3126/4885MEN1 1092/4885NR4A2 2041/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B KMT2A 2954/4885MEN1 2184/4885NR4A2 3653/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B KMT2A 2954/4885MEN1 2184/4885NR4A2 3653/4885

“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.