SCHEMBL4127725

SCHEMBL4127725

CCc1ccc(NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.60
NPC1 O15118 9/20 0.60
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 3/20 0.60
LMNA P02545 1/20 0.60
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
MAPT P10636 8/20 0.53
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 2/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CASP3 P42574 1/20 0.51

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
SCHEMBL13236273 0.87 CYP4F2 (0.71) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL4110308 0.86 MAPT (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL4104717 0.85 MAPT (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL4122707 0.84 NPC1 (0.63) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL4117961 0.84 MAPT (0.71) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL4124856 0.84 MAPT (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL4112874 0.83 MAPT (0.71) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL4113137 0.82 MAPT (0.74) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL4113855 0.82 RAB9A (0.79) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL4112088 0.81 KMT2A (0.75) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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 RAB9A 815/4885NPC1 927/4885ALDH1A1 994/4885

“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.