SCHEMBL2295987

SCHEMBL2295987

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.42
CSGALNACT1 Q8TDX6 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.38
PRMT5 O14744 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL2295983 1.00 CXCR1 (0.42) CXCR1CSGALNACT1SMN1; SMN2KDM4ERAB9A
SCHEMBL2294233 0.84 CSGALNACT1 (0.54) CSGALNACT1
SCHEMBL2294231 0.84 CSGALNACT1 (0.54) CSGALNACT1
SCHEMBL3235739 0.81 CSGALNACT1 (0.53) CSGALNACT1
SCHEMBL3235913 0.80 CSGALNACT1 (0.50) CSGALNACT1
SCHEMBL2301500 0.76 KDM4E (0.45) CXCR1CSGALNACT1SMN1; SMN2KDM4ERAB9A
SCHEMBL2296719 0.75 RAB9A (0.54) CXCR1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL2295109 0.75 MEN1 (0.58) CSGALNACT1SMN1; SMN2KDM4ERAB9AMEN1
SCHEMBL2295116 0.75 MEN1 (0.58) CSGALNACT1SMN1; SMN2KDM4ERAB9AMEN1
SCHEMBL2297539 0.74 CXCR1 (0.44) CXCR1CSGALNACT1SMN1; SMN2KDM4ERAB9A

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 4237/4885CSGALNACT1 455/4885SMN1; SMN2 4532/4885

“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.