SCHEMBL158605

SCHEMBL158605

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
STAT3 P40763 1/20 0.53
NR1H4 Q96RI1 2/20 0.49
MAPT P10636 8/20 0.48
HSD17B10 Q99714 3/20 0.48
TSHR P16473 2/20 0.48
HPGD P15428 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
XDH P47989 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CSNK2A2 P19784 1/20 0.48
CSNK2A1 P68400 1/20 0.48
ADRB2 P07550 1/20 0.47
MCHR1 Q99705 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
MCL1 Q07820 1/20 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
SCHEMBL162225 0.91 SMN1; SMN2 (0.54) SMN1; SMN2LMNASTAT3NR1H4MAPT
SCHEMBL160317 0.90 TRPV1 (0.48) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL160403 0.85 DGAT1 (0.56) SMN1; SMN2LMNANR1H4MAPTTP53
SCHEMBL159279 0.85 TRPV1 (0.48) SMN1; SMN2NR1H4MEN1KMT2AKDM4E
SCHEMBL163011 0.83 PLAU (0.55) MEN1KMT2ARAB9ANPC1
SCHEMBL160613 0.82 PTPN1 (0.50) SMN1; SMN2STAT3NR1H4CSNK2A2CSNK2A1
SCHEMBL162497 0.82 DGAT1 (0.54) SMN1; SMN2LMNANR1H4MAPTTP53
SCHEMBL158818 0.80 TRPV1 (0.51) NR1H4KDM4ERAB9ANPC1
SCHEMBL160629 0.79 KMT2A (0.43) SMN1; SMN2LMNAMAPTTSHRHPGD
SCHEMBL164815 0.77 NR1H4 (0.53) NR1H4KDM4ERAB9ANPC1

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.