SCHEMBL161901

SCHEMBL161901

O=C(O)CCCc1nnc(-c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
HTT P42858 3/20 0.50
MAPT P10636 2/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
LMNA P02545 1/20 0.45
PSMD14 O00487 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
DGAT1 O75907 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
SCHEMBL162693 0.90 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL163546 0.81 MEN1 (0.54) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL164904 0.80 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL158798 0.78 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL161640 0.78 MAPT (0.53) RAB9ASMN1; SMN2HTTMAPTLMNA
SCHEMBL162088 0.77 P2RY1 (0.54) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL163582 0.76 ALDH1A1 (0.55) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL15022137 0.73 NR1H4 (0.54) RAB9ASMN1; SMN2NPC1KMT2AKDM4E
SCHEMBL159199 0.71 MEN1 (0.52) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL160757 0.71 NR1H4 (0.67) RAB9ASMN1; SMN2NPC1MAPTLMNA

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 RAB9A 1781/4885SMN1; SMN2 2105/4885NPC1 86/4885

“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.