SCHEMBL6350201

SCHEMBL6350201

CCOC(=O)CC(NC(=O)c1ccc(C(=O)N2CC=CC2)c(C)c1)c1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
NAMPT P43490 1/20 0.41
KCNK3 O14649 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
ROCK1 Q13464 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GPR139 Q6DWJ6 1/20 0.36
HPGD P15428 1/20 0.36
THRB P10828 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL6342009 0.90 NAMPT (0.43) ROCK2NAMPTKCNK3ITGB3ROCK1
SCHEMBL6341179 0.88 NAMPT (0.41) ROCK2NAMPTKCNK3ROCK1GPR139
SCHEMBL7560859 0.85 F10 (0.50) ROCK2ALDH1A1KDM4ELMNAITGB3
SCHEMBL6341178 0.84 NAMPT (0.40) ROCK2NAMPTKCNK3ROCK1GPR139
Hydrochloric Acid SCHEMBL7560537 0.84 F10 (0.49) ROCK2ALDH1A1KDM4ELMNAITGB3
SCHEMBL7560820 0.82 ROCK2 (0.39) ROCK2ALDH1A1KDM4ELMNANAMPT
SCHEMBL6554526 0.81 NAMPT (0.43) ROCK2NAMPTKCNK3ITGB3ROCK1
SCHEMBL6554528 0.80 NAMPT (0.43) ALDH1A1LMNANAMPTKCNK3MEN1
SCHEMBL6351606 0.80 NAMPT (0.40) ROCK2NAMPTKCNK3ROCK1GPR139
SCHEMBL6339644 0.77 NAMPT (0.36) ROCK2ALDH1A1NAMPTKCNK3GPR139

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 2 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

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 ROCK2 4366/4885ALDH1A1 258/4885KDM4E 1149/4885

“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.