SCHEMBL2300971

SCHEMBL2300971

COC(=O)C(NC(=O)c1csc(-c2ccc(NC(=O)Nc3ccc4c(c3)CCC4)cc2)n1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
POLB P06746 4/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MMP13 P45452 2/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL2300968 1.00 NPC1 (0.47) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL2297230 0.91 NPC1 (0.47) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL2297235 0.91 NPC1 (0.47) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL2301344 0.85 DGAT1 (0.52) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL2301334 0.85 DGAT1 (0.52) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL2301342 0.85 CSGALNACT1 (0.52) POLBMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL2301345 0.85 CSGALNACT1 (0.52) POLBMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL3268295 0.84 NPC1 (0.48) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL1756424 0.84 NPC1 (0.47) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL11969043 0.84 NPC1 (0.47) NPC1RAB9APOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 436/4885RAB9A 3753/4885POLB 3062/4885

“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.