SCHEMBL2297535

SCHEMBL2297535

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
CSGALNACT1 Q8TDX6 2/20 0.38
MAPT P10636 4/20 0.37
CYP1A2 P05177 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2297539 1.00 CXCR1 (0.44) CXCR1SMN1; SMN2RAB9ACSGALNACT1MAPT
SCHEMBL2296907 0.85 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ACSGALNACT1MAPTLMNA
SCHEMBL2296905 0.85 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ACSGALNACT1MAPTLMNA
SCHEMBL2296315 0.79 CSGALNACT1 (0.59) CSGALNACT1MAPTMEN1KMT2A
SCHEMBL2296314 0.79 CSGALNACT1 (0.59) CSGALNACT1MAPTMEN1KMT2A
SCHEMBL2294233 0.79 CSGALNACT1 (0.54) CSGALNACT1
SCHEMBL2294231 0.79 CSGALNACT1 (0.54) CSGALNACT1
SCHEMBL1761338 0.79 POLB (0.43) SMN1; SMN2RAB9AMAPTMEN1GAA
SCHEMBL3235739 0.76 CSGALNACT1 (0.53) CSGALNACT1
SCHEMBL3235913 0.75 CSGALNACT1 (0.50) CSGALNACT1

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 3 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

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 CXCR1 4237/4885SMN1; SMN2 4532/4885RAB9A 3753/4885

“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.