SCHEMBL6339644

SCHEMBL6339644

Cc1cc(C(=O)NC(Cc2nnnn2CCC#N)c2cccc(C#N)c2)ccc1C(=O)N1CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.36
KCNK3 O14649 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NAALAD2 Q9Y3Q0 2/20 0.34
CCR5 P51681 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
GHSR Q92847 2/20 0.33
GPR139 Q6DWJ6 1/20 0.32
S1PR3 Q99500 1/20 0.32
ROCK2 O75116 2/20 0.31
MAPT P10636 1/20 0.31
ELANE P08246 1/20 0.31
PTGER4 P35408 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
PIN1 Q13526 1/20 0.30

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
SCHEMBL6351606 0.81 NAMPT (0.40) NAMPTKCNK3CCR5CNR1CNR2
SCHEMBL6342009 0.80 NAMPT (0.43) NAMPTKCNK3CNR1CNR2GPR139
SCHEMBL6341178 0.80 NAMPT (0.40) NAMPTKCNK3CCR5CNR1CNR2
SCHEMBL6350201 0.77 ROCK2 (0.42) NAMPTKCNK3ALDH1A1GPR139ROCK2
SCHEMBL6341179 0.75 NAMPT (0.41) NAMPTKCNK3CCR5CNR1CNR2
SCHEMBL6554526 0.71 NAMPT (0.43) NAMPTKCNK3GPR139ROCK2PIN1
SCHEMBL6554528 0.70 NAMPT (0.43) NAMPTKCNK3ALDH1A1GPR139PTGER4
SCHEMBL6339813 0.68 F10 (0.38) ROCK2
Hydrochloric Acid SCHEMBL6342430 0.67 F10 (0.38) ROCK2
SCHEMBL7558695 0.67 NAMPT (0.45) NAMPTKCNK3ALDH1A1CNR1CNR2

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 2469/4885ALDH1A1 258/4885

“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.