SCHEMBL161099

SCHEMBL161099

COC(=O)CCCc1nnc(-c2ccc(N)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLS O94925 6/20 0.46
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 1/20 0.40
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CSNK2A2 P19784 2/20 0.38
CSNK2A1 P68400 2/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL162295 0.83 CSNK2A2 (0.53) HPGDSMN1; SMN2HDAC1HDAC2RAB9A
SCHEMBL159199 0.81 MEN1 (0.52) SMN1; SMN2HTTHDAC1HDAC2KDM4E
SCHEMBL17978613 0.79 RAB9A (0.56) GLSHPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL161029 0.79 ERCC5 (0.39) GLSHPGDSMN1; SMN2HSD17B10HDAC1
SCHEMBL15021986 0.78 RXFP1 (0.50) SMN1; SMN2KDM4ERAB9ANPC1KMT2A
SCHEMBL1310411 0.78 EPHX2 (0.45) HDAC1HDAC2
SCHEMBL8350083 0.78 HTT (0.66) GLSHTTHSD17B10
SCHEMBL161921 0.77 SMN1; SMN2 (0.55) HPGDSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL9254531 0.77 TMPRSS15 (0.43) HPGDSMN1; SMN2MAPTCSNK2A2CSNK2A1
SCHEMBL1351101 0.76 TSHR (0.48)

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 3 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 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 GLS 353/4885HPGD 391/4885SMN1; SMN2 2105/4885

“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.