SCHEMBL4112018

SCHEMBL4112018

Cc1ccc(NC(=O)Nc2cccc(OC(C)C)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.70
CNR1 P21554 1/20 0.66
CDK8 P49336 1/20 0.60
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
TP53 P04637 2/20 0.60
TSHR P16473 2/20 0.60
MAPT P10636 7/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 3/20 0.55
NLRP1 Q9C000 1/20 0.55
KDR P35968 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
MEN1 O00255 3/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 1/20 0.53
STAT1 P42224 1/20 0.53
KDM4E B2RXH2 1/20 0.52
NFKB1 P19838 1/20 0.52

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
SCHEMBL4118285 0.90 CA2 (0.64) CA2CNR1CDK8NPC1RAB9A
SCHEMBL4104406 0.89 CA2 (0.71) CA2CNR1NPC1RAB9ATP53
SCHEMBL4116643 0.88 CA2 (0.70) CA2CNR1CDK8NPC1RAB9A
SCHEMBL4124364 0.88 CA2 (0.62) CA2CNR1CDK8NPC1RAB9A
SCHEMBL4105995 0.87 TP53 (0.81) CA2CNR1CDK8NPC1RAB9A
SCHEMBL4106124 0.87 CA2 (0.68) CA2CNR1NPC1RAB9ATP53
SCHEMBL4117429 0.87 MAPT (0.62) CA2CNR1CDK8NPC1RAB9A
SCHEMBL4115271 0.87 CA2 (0.64) CA2CNR1CDK8NPC1RAB9A
SCHEMBL4112132 0.87 KMT2A (0.62) CA2CNR1CDK8NPC1RAB9A
SCHEMBL4105980 0.87 CNR1 (0.85) CA2CNR1NPC1RAB9ATP53

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
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US claimed
EP-1804785-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-07-11 EP claimed
WO-2006049941-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-05-11 WO claimed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US 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-20090239841-A1 Diaryl Ureas as CB1 Antagonists CNR1, CNR2, OPRL1 CA2 4345/4885CNR1 1/4885CDK8 1510/4885

“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.