SCHEMBL162199

SCHEMBL162199

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 5/20 0.41
DGAT1 O75907 5/20 0.39
BDKRB1 P46663 1/20 0.39
MAPK1 P28482 3/20 0.38
ROCK2 O75116 1/20 0.37
TP53 P04637 1/20 0.36
CNR1 P21554 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
SCHEMBL160962 0.92 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL162024 0.85 MAPT (0.46) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL161969 0.83 NAMPT (0.53) SMN1; SMN2MAPTMEN1KMT2ANAMPT
SCHEMBL163373 0.83 MEN1 (0.50) POLBMAPTMEN1KMT2ACNR1
SCHEMBL174042 0.82 CNR1 (0.43) MEN1KMT2ADGAT1CNR1
SCHEMBL161878 0.80 DGAT1 (0.52) MAPTDGAT1TP53CNR1
SCHEMBL159430 0.80 DGAT1 (0.43) NAMPTDGAT1CNR1
SCHEMBL161996 0.79 NAMPT (0.52) MAPTNAMPTROCK2
SCHEMBL161164 0.79 DGAT1 (0.58) DGAT1
SCHEMBL162514 0.79 DGAT1 (0.48) POLBSMN1; SMN2DGAT1

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.