SCHEMBL160962

SCHEMBL160962

COCCNC(=O)Nc1ccc(-c2cnc(CCC(C)(C)C(=O)OC)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
NAMPT P43490 5/20 0.39
MAPK1 P28482 3/20 0.38
DGAT1 O75907 2/20 0.38
BDKRB1 P46663 1/20 0.37
TP53 P04637 1/20 0.36
RPS6KB1 P23443 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
APAF1 O14727 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL162199 0.92 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL164809 0.85 MAPT (0.42) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL161205 0.85 MAPT (0.46) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL161996 0.85 NAMPT (0.52) MAPTNAMPT
SCHEMBL162311 0.85 MEN1 (0.46) POLBMAPTMEN1KMT2A
SCHEMBL162879 0.84 RAB9A (0.44) SMN1; SMN2MEN1KMT2ADGAT1
SCHEMBL160684 0.83 DGAT1 (0.49) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL160328 0.82 DGAT1 (0.40) MAPTNAMPTDGAT1TP53
SCHEMBL163250 0.82 DGAT1 (0.54) SMN1; SMN2MAPTLMNADGAT1TP53
SCHEMBL163566 0.81 EPHX2 (0.49) ALDH1A1SMN1; SMN2TP53

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 ALDH1A1 369/4885POLB 2522/4885SMN1; 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.