SCHEMBL160976

SCHEMBL160976

COC(=O)CCCc1nnc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDR P35968 2/20 0.45
ALOX5 P09917 2/20 0.45
EPHX2 P34913 2/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
POLB P06746 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL164904 0.89 SMN1; SMN2 (0.51) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL159199 0.85 MEN1 (0.52) SMN1; SMN2MAPTMEN1KMT2AEPHX2
SCHEMBL162536 0.84 DGAT1 (0.54) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL161894 0.83 P2RY1 (0.52) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL162693 0.81 SMN1; SMN2 (0.51) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL15021986 0.79 RXFP1 (0.50) SMN1; SMN2MEN1KMT2ANPSR1NPC1
SCHEMBL157991 0.79 DDX3X (0.58) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL164156 0.79 MAPT (0.52) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL162667 0.78 DGAT1 (0.56) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL161908 0.76 MAPT (0.58) SMN1; SMN2MAPTMEN1KMT2ALMNA

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 2105/4885MAPT 137/4885MEN1 2803/4885

“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.