SCHEMBL4486004

SCHEMBL4486004

CCc1cccc(C(=O)N2CCCCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
ALDH1A1 P00352 3/20 0.66
MEN1 O00255 2/20 0.66
HPGD P15428 4/20 0.65
TP53 P04637 2/20 0.64
RECQL P46063 1/20 0.64
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
TSHR P16473 2/20 0.58
POLB P06746 1/20 0.56
GAA P10253 1/20 0.55

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
SCHEMBL10174738 1.00 KMT2A (0.66) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7901273 0.98 SMN1; SMN2 (0.65) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4480468 0.95 SMN1; SMN2 (0.61) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14234095 0.92 ALDH1A1 (0.62) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1696388 0.88 NPC1 (0.63) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13438861 0.86 SMN1; SMN2 (0.58) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15986678 0.85 SIGMAR1 (0.59) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13462844 0.85 PDE3B (0.53) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7901271 0.85 RAB9A (0.67) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12333479 0.85 MEN1 (0.61) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144403-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-05-16 US disclosed
WO-2017214005-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-14 WO disclosed
US-9815787-B2 Sulfonamide derivative or pharmaceutically acceptable acid addition salt thereof UNIVERSITY OF TSUKUBA (JP) 2017-11-14 US disclosed
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-17 US disclosed
US-9079860-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20090270381-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2009-10-29 US disclosed
WO-2009077186-A1 NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESLLSCHAFT (DE) 2009-06-25 WO disclosed
EP-2070909-A1 Non-steroidal progesterone receptor modulators Bayer Schering Pharma AG (DE) 2009-06-17 EP disclosed
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
US-7429584-B2 Furo[2.3-b]pyridine derivatives for the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-30 US disclosed
WO-2008077646-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-03 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 (9 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT KMT2A 4058/4885NPC1 1955/4885RAB9A 559/4885
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KMT2A 2123/4885NPC1 3968/4885RAB9A 818/4885
US-20090270381-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 KMT2A 1622/4885NPC1 4133/4885RAB9A 4690/4885
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 KMT2A 1610/4885NPC1 2032/4885RAB9A 892/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A KMT2A 2847/4885NPC1 2555/4885RAB9A 3164/4885
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 KMT2A 65/4885NPC1 631/4885RAB9A 1186/4885
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 KMT2A 1961/4885NPC1 3356/4885RAB9A 4606/4885
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KMT2A 2123/4885NPC1 3968/4885RAB9A 818/4885
US-20190144403-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS LIPG, LPL, CEL KMT2A 1810/4885NPC1 1171/4885RAB9A 4474/4885

“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.