SCHEMBL4115459

SCHEMBL4115459

CCc1cccc(NC(=O)Nc2ccc(OCC#N)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.56
MAPK14 Q16539 1/20 0.56
TNNI3K Q59H18 1/20 0.56
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
RAB9A P51151 5/20 0.55
NPC1 O15118 5/20 0.55
MITF O75030 1/20 0.53
PAX8 Q06710 1/20 0.53
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
TEK Q02763 1/20 0.51
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PDGFRB P09619 2/20 0.47

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
SCHEMBL4112427 0.87 RAB9A (0.54) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL4117508 0.86 MAPT (0.70) KDRMAPK14TNNI3KMAPTSMN1; SMN2
SCHEMBL4106349 0.85 SAE1 (0.59) KDRTNNI3KMAPTSMN1; SMN2MEN1
SCHEMBL4110883 0.84 RAB9A (0.62) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL4123109 0.84 TSHR (0.71) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL4111982 0.84 NPC1 (0.79) KDRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4123129 0.84 KDR (0.59) KDRMAPK14TNNI3KMAPTSMN1; SMN2
SCHEMBL4113183 0.84 MAPT (0.70) KDRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31054229 0.83 PPARA (0.58) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL4122424 0.82 CDK8 (0.56) KDRMAPTSMN1; SMN2MEN1KMT2A

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 KDR 3246/4885MAPK14 3162/4885TNNI3K 4016/4885

“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.