SCHEMBL2178942

SCHEMBL2178942

COc1cccc(NC(=O)Nc2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)O)C(C)C)C4)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
LMNA P02545 3/20 0.53
KDR P35968 2/20 0.52
DGAT1 O75907 3/20 0.49
TSHR P16473 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
CNR1 P21554 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
STAT1 P42224 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CLK1 P49759 1/20 0.44
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL2177471 1.00 TP53 (0.53) TP53LMNAKDRDGAT1TSHR
SCHEMBL2180307 0.93 LMNA (0.52) TP53LMNAKDRDGAT1NPC1
SCHEMBL2180314 0.93 LMNA (0.52) TP53LMNAKDRDGAT1NPC1
SCHEMBL2179988 0.93 DGAT1 (0.53) TP53LMNAKDRDGAT1TSHR
SCHEMBL2181456 0.93 DGAT1 (0.53) TP53LMNAKDRDGAT1TSHR
SCHEMBL2177691 0.92 LMNA (0.60) TP53LMNAKDRDGAT1NPC1
SCHEMBL2177698 0.92 LMNA (0.60) TP53LMNAKDRDGAT1NPC1
SCHEMBL2179275 0.90 LMNA (0.51) TP53LMNAKDRDGAT1MAPT
SCHEMBL2179283 0.90 LMNA (0.51) TP53LMNAKDRDGAT1MAPT
SCHEMBL2179963 0.88 KDR (0.50) TP53LMNAKDRDGAT1NPC1

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 TP53 2093/4885LMNA 2193/4885KDR 4082/4885

“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.