SCHEMBL2178926

SCHEMBL2178926

CCCCCc1ccc(C(=O)Nc2cnc(-c3ccc4c(c3)C(=O)N([C@H](C(=O)O)C(C)C)C4)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP3K5 Q99683 1/20 0.38
TRPV1 Q8NER1 8/20 0.37
BCHE P06276 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
ITGA2 P17301 1/20 0.35
SDCBP O00560 1/20 0.35
SDC2 P34741 1/20 0.35
PLK1 P53350 6/20 0.35
PLK3 Q9H4B4 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
SCHEMBL2178932 1.00 NPC1 (0.38) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2178354 0.91 GCK (0.38) MAP3K5TRPV1BCHEITGB3ITGA2B
SCHEMBL2181120 0.90 CHRNB2 (0.39) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2179675 0.90 CHRNB2 (0.39) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL13719176 0.89 TRPV1 (0.42) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2181260 0.89 TRPV1 (0.42) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2284780 0.89 SDCBP (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2228136 0.89 SDCBP (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2177305 0.89 MAP3K5 (0.40) MAP3K5TRPV1ITGB3ITGA2BITGA2
SCHEMBL2177299 0.89 MAP3K5 (0.40) MAP3K5TRPV1ITGB3ITGA2BITGA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US claimed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US claimed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP claimed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO claimed
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US disclosed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US disclosed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 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-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE DGAT1, DGAT2, LCAT NPC1 158/4885NFKB1 3478/4885RAB9A 2039/4885

“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.