SCHEMBL162024

SCHEMBL162024

COc1ccc(NC(=O)Nc2ccc(-c3cnc(CCC(C)(C)C(=O)O)s3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ CSNK2A2 P19784 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ RAB9A P51151 7/20 0.45
▸ NPC1 O15118 6/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ DGAT1 O75907 1/20 0.41

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
SCHEMBL161205 0.92 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1CNR1KDM4E
SCHEMBL160333 0.90 CNR1 (0.47) MAPTSMN1; SMN2ALDH1A1CNR1KDM4E
SCHEMBL174042 0.87 CNR1 (0.43) CNR1RAB9ANPC1MEN1KMT2A
SCHEMBL162199 0.85 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1CNR1KDM4E
SCHEMBL161878 0.85 DGAT1 (0.52) MAPTCNR1TP53DGAT1
SCHEMBL159430 0.84 DGAT1 (0.43) CNR1DGAT1
SCHEMBL164317 0.83 CNR1 (0.47) MAPTSMN1; SMN2ALDH1A1CNR1KDM4E
SCHEMBL160057 0.82 DGAT1 (0.54) MAPTSMN1; SMN2CNR1KDM4ERAB9A
SCHEMBL160829 0.82 DGAT1 (0.57) MAPTSMN1; SMN2CNR1KDM4ELMNA
SCHEMBL158731 0.82 DGAT1 (0.54) MAPTCNR1TP53DGAT1

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 MAPT 137/4885SMN1; SMN2 2105/4885ALDH1A1 369/4885

“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.

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