SCHEMBL4112427

SCHEMBL4112427

CCc1ccc(NC(=O)Nc2ccc(OCC#N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.54
MAPT P10636 5/20 0.52
KMT2A Q03164 6/20 0.52
NPC1 O15118 6/20 0.52
MEN1 O00255 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
POLB P06746 3/20 0.50
SAE1 Q9UBE0 2/20 0.50
UBA2 Q9UBT2 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
IL18 Q14116 1/20 0.50
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL4113552 0.88 MAPT (0.68) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL4115459 0.87 KDR (0.56) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL4110299 0.85 RAB9A (0.67) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL4104760 0.85 MAPT (0.53) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL4124258 0.84 MAPT (0.64) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL4116127 0.84 MAPT (0.61) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL31054229 0.84 PPARA (0.58) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL4113028 0.84 MAPT (0.71) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL4105709 0.83 MAPT (0.73) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL4119186 0.83 CA12 (0.55) RAB9AMAPTKMT2ANPC1MEN1

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 815/4885MAPT 1654/4885KMT2A 2807/4885

“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.