SCHEMBL2297271

SCHEMBL2297271

COC(=O)C(C(C)C)N(C)C(=O)c1cc(-c2ccc(NC(=O)NC3CCCCC3)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
EPHX2 P34913 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
EPHX1 P07099 7/20 0.44
RAB9A P51151 5/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CSGALNACT1 Q8TDX6 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 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
SCHEMBL2297269 1.00 NPC1 (0.46) NPC1EPHX2SMN1; SMN2ALDH1A1EPHX1
SCHEMBL2296890 0.91 CSGALNACT1 (0.47) NPC1EPHX2SMN1; SMN2ALDH1A1EPHX1
SCHEMBL2296883 0.91 CSGALNACT1 (0.47) NPC1EPHX2SMN1; SMN2ALDH1A1EPHX1
SCHEMBL2296314 0.84 CSGALNACT1 (0.59) ALDH1A1CSGALNACT1MEN1KMT2A
SCHEMBL2296315 0.84 CSGALNACT1 (0.59) ALDH1A1CSGALNACT1MEN1KMT2A
SCHEMBL2294441 0.82 CSGALNACT1 (0.61) CSGALNACT1
SCHEMBL2294446 0.82 CSGALNACT1 (0.61) CSGALNACT1
SCHEMBL2296714 0.79 CSGALNACT1 (0.62) SMN1; SMN2CSGALNACT1
SCHEMBL2301030 0.79 RAB9A (0.52) NPC1SMN1; SMN2RAB9ANFKB1NFKB2
SCHEMBL2296712 0.79 CSGALNACT1 (0.62) SMN1; SMN2CSGALNACT1

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 6 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 claimed
US-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED. 2011-08-11 US claimed
WO-2010023609-A1 OXAZOLE, OXADIAZOLE AND THIAZOLE DERIVATIVES AS DIACYLGLYCEROL ACYLTRANFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-03-04 WO claimed
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 NPC1 436/4885EPHX2 984/4885SMN1; 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.