SCHEMBL163546

SCHEMBL163546

Cc1ccc(NC(=O)Nc2ccc(-c3nnc(CCCC(=O)O)s3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
PDGFRB P09619 1/20 0.47
KDR P35968 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
FFAR1 O14842 5/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTPRE P23469 1/20 0.42
GLS O94925 3/20 0.42

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
SCHEMBL159199 0.89 MEN1 (0.52) MEN1KMT2AHDAC1HDAC2FFAR1
SCHEMBL164904 0.83 SMN1; SMN2 (0.51) MEN1KMT2AKDRNPC1RAB9A
SCHEMBL161901 0.81 RAB9A (0.50) KMT2AFFAR1NPC1RAB9AMAPT
SCHEMBL161640 0.80 MAPT (0.53) MEN1KMT2APDGFRBKDRFFAR1
SCHEMBL15022137 0.80 NR1H4 (0.54) MEN1KMT2AFFAR1NPC1RAB9A
SCHEMBL160757 0.79 NR1H4 (0.67) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL162088 0.75 P2RY1 (0.54) MEN1KMT2AKDRFFAR1NPC1
SCHEMBL160976 0.74 SMN1; SMN2 (0.51) MEN1KMT2AKDRNPC1RAB9A
SCHEMBL161606 0.74 TRPV1 (0.50) MEN1KMT2AHDAC1HDAC2FFAR1
SCHEMBL3045643 0.73 GLS (0.57) HDAC1HDAC2MAPTRXFP1GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 MEN1 2803/4885KMT2A 2187/4885PDGFRB 4369/4885

“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.