SCHEMBL2176868

SCHEMBL2176868

COC(=O)c1nc(-c2ccccc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
ALDH1A1 P00352 6/20 0.52
MAPT P10636 6/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
MCL1 Q07820 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
ADORA3 P0DMS8 2/20 0.51
NR1H4 Q96RI1 1/20 0.51
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL694852 0.83 ALDH1A1 (0.56) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL22352575 0.83 TSHR (0.57) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL13963798 0.81 MAPT (0.55) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL31479971 0.81 ALDH1A1 (0.41) RAB9ANPC1CASP3SENP7ALDH1A1
SCHEMBL167820 0.81 RAB9A (0.58) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL27789995 0.81 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL3010834 0.80 NR1H4 (0.60) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL14368139 0.79 MEN1 (0.40) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL22352682 0.79 MAOA (0.58) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL161667 0.78 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1MAPTMEN1

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-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
CN-102781915-A Diacylglycerol acyltransferase inhibitors PIRAMAL LIFE SCIENCES LTD 2012-11-14 CN 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 RAB9A 2039/4885NPC1 158/4885CASP3 3664/4885

“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.