SCHEMBL2180710

SCHEMBL2180710

O=C(Nc1ccc(-c2ccc3c(c2)C(=O)N(C2(C(=O)O)CC2)C3)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
P2RY14 Q15391 2/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DGAT1 O75907 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
PTGS1 P23219 2/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
ABCB1 P08183 1/20 0.41
RORC P51449 1/20 0.41
MCHR1 Q99705 1/20 0.41
ESR1 P03372 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
SCHEMBL2181794 0.96 MEN1 (0.47) MEN1KMT2ARXFP1P2RY14NPC1
SCHEMBL2198162 0.90 TDP2 (0.42) MEN1KMT2ARXFP1DGAT1
SCHEMBL13719080 0.90 DEGS1 (0.46) MEN1KMT2AMAPTTRPV1
SCHEMBL13719131 0.90 MEN1 (0.46) MEN1KMT2ARXFP1P2RY14DGAT1
SCHEMBL2178666 0.88 SLC2A1 (0.47) MEN1KMT2ANPC1RAB9ADGAT1
SCHEMBL2184969 0.87 MEN1 (0.45) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL2180858 0.86 MEN1 (0.45) MEN1KMT2ARXFP1P2RY14DGAT1
SCHEMBL13719083 0.86 CREBBP (0.45) NPC1RAB9ATP53TRPV1MCHR1
SCHEMBL13719194 0.86 CREBBP (0.45) NPC1RAB9ATP53TRPV1MCHR1
SCHEMBL2180235 0.86 TRPV1 (0.52) NPC1RAB9AMAPTTRPV1

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 MEN1 3071/4885KMT2A 1705/4885RXFP1 4726/4885

“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.