SCHEMBL2294299

SCHEMBL2294299

O=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.47
CXCR1 P25024 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MCL1 Q07820 1/20 0.44
CASP1 P29466 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
SRD5A2 P31213 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL11619922 0.85 PTPN1 (0.57) PTPN1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3822977 0.83 GSK3B (0.51) CXCR1RAB9ASMN1; SMN2CASP1NPC1
SCHEMBL3235739 0.80 CSGALNACT1 (0.53)
SCHEMBL2296719 0.80 RAB9A (0.54) CXCR1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL3459689 0.80 CXCR1 (0.49) CXCR1TDP1RAB9ASMN1; SMN2MCL1
SCHEMBL5593513 0.79 GAA (0.44) TDP1RAB9ANPC1MAPTPOLB
SCHEMBL5593509 0.79 GAA (0.44) TDP1RAB9ANPC1MAPTPOLB
SCHEMBL15919682 0.79 PTPN1 (0.56) PTPN1RAB9ASMN1; SMN2MCL1MAPT
SCHEMBL25728006 0.79 RAB9A (0.47) TDP1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL212382 0.79 RAB9A (0.68) PTPN1RAB9ASMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835428-B2 Diacylglycerol acyltransferase inhibitors Piramal Enterprises Limited (IN) 2014-09-16 US disclosed
US-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED. 2011-08-11 US disclosed
WO-2010023609-A1 OXAZOLE, OXADIAZOLE AND THIAZOLE DERIVATIVES AS DIACYLGLYCEROL ACYLTRANFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-03-04 WO disclosed
CN-1687075-A 3-phenyl iso-oxazole-5-aminocarbonyl substituted beta-lactam derivative and application TIANJIN MEDICINE INST (CN) 2005-10-26 CN 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 (1 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-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, DLAT PTPN1 3023/4885CXCR1 4237/4885TDP1 2645/4885

“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.