SCHEMBL6351606

SCHEMBL6351606

Cc1cc(C(=O)NC(Cc2nnn[nH]2)c2cccc(C#N)c2)ccc1C(=O)N1CC=CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
KCNK3 O14649 1/20 0.37
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
DCAF1 Q9Y4B6 1/20 0.34
ROCK2 O75116 3/20 0.34
CCR5 P51681 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
S1PR3 Q99500 2/20 0.33
ROCK1 Q13464 1/20 0.33
FASN P49327 1/20 0.33
EGLN1 Q9GZT9 2/20 0.32
HDAC1 Q13547 1/20 0.32
PIN1 Q13526 1/20 0.32
PAK4 O96013 1/20 0.32

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
SCHEMBL6339813 0.86 F10 (0.38) ROCK2
Hydrochloric Acid SCHEMBL6342430 0.85 F10 (0.38) ROCK2
SCHEMBL6342009 0.83 NAMPT (0.43) NAMPTKCNK3CNR1CNR2DCAF1
SCHEMBL6339644 0.81 NAMPT (0.36) NAMPTKCNK3CNR1CNR2ROCK2
SCHEMBL6350201 0.80 ROCK2 (0.42) NAMPTKCNK3ROCK2GPR139ROCK1
SCHEMBL6343785 0.78 F10 (0.42) ROCK2
SCHEMBL6341179 0.78 NAMPT (0.41) NAMPTKCNK3CNR1CNR2DCAF1
SCHEMBL6341178 0.78 NAMPT (0.40) NAMPTKCNK3CNR1CNR2DCAF1
Hydrochloric Acid SCHEMBL6349095 0.78 F10 (0.41) ROCK2
SCHEMBL6554526 0.74 NAMPT (0.43) NAMPTKCNK3ROCK2GPR139ROCK1

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-6838565-B2 Substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-04 US disclosed
US-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM (DE) 2004-07-15 US disclosed
WO-2004013128-A1 NOVEL SUBSTITUTED BENZAMIDES PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM (DE) 2004-02-12 WO 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-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions F11, F12, SERPINC1 NAMPT 1501/4885KCNK3 2469/4885CNR1 442/4885

“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.