SCHEMBL4667327

SCHEMBL4667327

CCOC(=O)c1ccc2nc(C)sc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.68
RAB9A P51151 13/20 0.68
SMN1; SMN2 Q16637 10/20 0.68
STAT1 P42224 1/20 0.68
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
RXFP1 Q9HBX9 2/20 0.65
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 4/20 0.64
HPGD P15428 3/20 0.64
MAPT P10636 3/20 0.64
ALPL P05186 1/20 0.64
GAA P10253 1/20 0.64
TP53 P04637 2/20 0.58
HSD17B10 Q99714 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
USP2 O75604 1/20 0.57
ACP1 P24666 1/20 0.53

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
SCHEMBL145671 0.87 NPC1 (0.67) NPC1RAB9ASMN1; SMN2STAT1KMT2A
SCHEMBL30189826 0.87 NPC1 (0.67) NPC1RAB9ASMN1; SMN2STAT1KMT2A
SCHEMBL12200481 0.86 RAB9A (0.60) NPC1RAB9ASMN1; SMN2STAT1KMT2A
SCHEMBL28742030 0.86 NPC1 (0.60) NPC1RAB9ASMN1; SMN2STAT1KMT2A
SCHEMBL1094691 0.86 NPC1 (0.65) NPC1RAB9ASMN1; SMN2STAT1KMT2A
SCHEMBL19029298 0.86 NPC1 (0.65) NPC1RAB9ASMN1; SMN2STAT1KMT2A
SCHEMBL73574 0.86 RAB9A (0.65) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL6844717 0.86 NPC1 (0.65) NPC1RAB9ASMN1; SMN2STAT1KMT2A
SCHEMBL8975774 0.86 NPC1 (0.65) NPC1RAB9ASMN1; SMN2STAT1KMT2A
SCHEMBL16809339 0.85 RAB9A (0.76) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-1706398-B1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-05-21 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
US-8053450-B2 P2Y1 Purinoreceptor; thromboembolic disorders; compounds are 2-((hetero)arylamino) benzimidazoles, benzoxazoles or benzothiazoles such as [2-(2-tert-butyl-phenoxy)-pyridin-3-yl]-(6-methyl-1H-benzoimidazol-2-yl)-amine BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-08 US disclosed
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2008-08-14 US disclosed
US-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2008-08-14 US disclosed
US-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2008-08-14 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
EP-1743333-A1 METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-01-17 EP disclosed
WO-2005106868-A1 METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-11-10 WO disclosed
US-4550118-A ANTIULCER, ANTISECRETORY AGENT, HISTAMINE ANTAGONIST IKEDA MOHANDO CO., LTD. (JP) 1985-10-29 US disclosed
EP-0111685-A1 Benzazoles as histamine H2 receptor antagonists Ikeda Mohando Co., Ltd. (JP) 1984-06-27 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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R NPC1 1359/4885RAB9A 1662/4885SMN1; SMN2 1960/4885
US-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity TMCO1, KCNN3, CACNA1F NPC1 3103/4885RAB9A 1255/4885SMN1; SMN2 893/4885
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS P2RY1, P2RY11, P2RY2 NPC1 3594/4885RAB9A 2253/4885SMN1; SMN2 3992/4885

“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.