SCHEMBL162225

SCHEMBL162225

CCCCOc1ccc(C(=O)Nc2ccc(-c3cnc(CCC(=O)O)s3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
STAT3 P40763 1/20 0.54
NR1H4 Q96RI1 2/20 0.53
XDH P47989 1/20 0.48
CSNK2A2 P19784 1/20 0.48
CSNK2A1 P68400 1/20 0.48
MAPT P10636 8/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 2/20 0.47
MCHR1 Q99705 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
MCL1 Q07820 1/20 0.47
TP53 P04637 2/20 0.46

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
SCHEMBL158605 0.91 SMN1; SMN2 (0.53) SMN1; SMN2LMNASTAT3NR1H4XDH
SCHEMBL158818 0.88 TRPV1 (0.51) NR1H4KDM4ERAB9A
SCHEMBL161479 0.84 NR1H4 (0.61) NR1H4
SCHEMBL164815 0.83 NR1H4 (0.53) NR1H4KDM4ERAB9A
SCHEMBL160317 0.81 TRPV1 (0.48) SMN1; SMN2KDM4EALDH1A1RAB9AMEN1
SCHEMBL158827 0.81 PTPN1 (0.51) SMN1; SMN2STAT3NR1H4
SCHEMBL162257 0.80 DGAT1 (0.57) NR1H4KDM4ERAB9AMEN1KMT2A
SCHEMBL162665 0.80 NR1H4 (0.62) NR1H4
SCHEMBL159279 0.78 TRPV1 (0.48) SMN1; SMN2NR1H4KDM4EALDH1A1RAB9A
SCHEMBL162491 0.78 MEN1 (0.43) LMNANR1H4MAPTL3MBTL1TSHR

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 SMN1; SMN2 2105/4885LMNA 2076/4885STAT3 3421/4885

“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.