SCHEMBL164904

SCHEMBL164904

O=C(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
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALOX5 P09917 1/20 0.45
EPHX2 P34913 1/20 0.45
DGAT1 O75907 2/20 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
SCHEMBL160976 0.89 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1MAPT
SCHEMBL158944 0.83 DGAT1 (0.58) SMN1; SMN2NPC1RAB9AMEN1MAPT
SCHEMBL163546 0.83 MEN1 (0.54) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL162088 0.82 P2RY1 (0.54) SMN1; SMN2NPC1RAB9AMEN1MAPT
SCHEMBL161901 0.80 RAB9A (0.50) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL15022137 0.79 NR1H4 (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL165680 0.78 DDX3X (0.59) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL161640 0.77 MAPT (0.53) SMN1; SMN2RAB9AMEN1MAPTKMT2A
SCHEMBL163121 0.76 DGAT1 (0.59) SMN1; SMN2NPC1RAB9AMEN1MAPT
SCHEMBL161886 0.75 ALDH1A1 (0.63) RAB9AMEN1MAPTKMT2APOLB

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 2105/4885NPC1 86/4885RAB9A 1781/4885

“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.