SCHEMBL4122707

SCHEMBL4122707

CC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.63
RAB9A P51151 8/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
ALDH1A1 P00352 4/20 0.63
HTT P42858 3/20 0.63
LMNA P02545 2/20 0.63
MAPT P10636 9/20 0.60
TAAR1 Q96RJ0 1/20 0.60
MEN1 O00255 8/20 0.58
KMT2A Q03164 8/20 0.58
NLRP1 Q9C000 1/20 0.58
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 3/20 0.54
CA7 P43166 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MAPK1 P28482 3/20 0.53

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
SCHEMBL4112065 0.89 KMT2A (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL4110308 0.89 MAPT (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL4117961 0.87 MAPT (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL22282993 0.86 CA12 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL4112874 0.86 MAPT (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL4127725 0.84 RAB9A (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL4113137 0.84 MAPT (0.74) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL4112101 0.83 MAPT (0.74) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL3633396 0.82 NPC1 (0.84) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL4104717 0.82 MAPT (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1HTT

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 3 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 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 NPC1 927/4885RAB9A 815/4885SMN1; SMN2 4056/4885

“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.