SCHEMBL8712864

SCHEMBL8712864

Cn1nnc2ccc(C(=O)c3ccc(Cl)cc3)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HCAR3 P49019 1/20 0.50
KEAP1 Q14145 2/20 0.48
F12 P00748 1/20 0.47
HTT P42858 2/20 0.47
CYP19A1 P11511 3/20 0.46
CYP11B1 P15538 1/20 0.46
HPGD P15428 3/20 0.46
CHRM4 P08173 1/20 0.46
KMO O15229 1/20 0.45
MAPT P10636 3/20 0.44
MGAM O43451 2/20 0.44
AMY1A P0DUB6 2/20 0.44
GAA P10253 2/20 0.44
SI P14410 2/20 0.44
MGAM2 Q2M2H8 2/20 0.44

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
SCHEMBL12349868 0.80 HCAR3 (0.57) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL1256199 0.80 HCAR3 (0.76) RAB9AMEN1KMT2AHCAR3HPGD
SCHEMBL14476937 0.79 KEAP1 (0.53) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL29751355 0.78 HCAR3 (0.55) NPC1RAB9AKDM4EMEN1KMT2A
Acetic Acid SCHEMBL8713683 0.78 RAB9A (0.46) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL2884485 0.76 HCAR3 (0.53) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL8884318 0.75 RAB9A (0.43) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL14092692 0.75 HCAR3 (0.57) NPC1RAB9AMEN1KMT2AHCAR3
SCHEMBL9026711 0.73 CYP19A1 (0.58) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL27541385 0.73 PDE2A (0.48) NPC1RAB9AHTTHPGDMAPT

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-20080194656-A1 Benzotriazole Derivatives as Cannabinoid Receptor Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US disclosed
US-20080194656-A1 Benzotriazole Derivatives as Cannabinoid Receptor Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US disclosed
US-5746840-A Process for preparing enantiomerically pure 6-{4-chlorophenyl) (1 H-1,2,4-triazol-1-YL) methyl}-1-methyl-1 H-benzotriazole JANSSEN PHARMACEUTICA, N.V. (BE) 1998-05-05 US disclosed
EP-0408509-B1 Substituted benzonitriles CIBA GEIGY AG (CH) 1996-03-06 EP disclosed
US-5073574-A TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF CIBA-GEIGY CORPORATION (US) 1991-12-17 US disclosed
EP-0408509-A2 Substituted benzonitriles CIBA-GEIGY AG (CH) 1991-01-16 EP 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-20080194656-A1 Benzotriazole Derivatives as Cannabinoid Receptor Antagonists CNR1, CNR2, HTR3C NPC1 1200/4885RAB9A 2778/4885KDM4E 3439/4885

“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.