SCHEMBL6710172

SCHEMBL6710172

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2ccc(-c3ccccc3C(F)(F)F)cc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
TRPA1 O75762 2/20 0.34
ROCK1 Q13464 2/20 0.34
NTRK1 P04629 3/20 0.33
HSD11B1 P28845 2/20 0.33
WDR5 P61964 1/20 0.33
LCK P06239 3/20 0.33
AR P10275 1/20 0.33
GRM4 Q14833 1/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
DHODH Q02127 1/20 0.32
SCN9A Q15858 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
SCHEMBL6713616 0.90 CCKAR (0.37) ROCK2TRPA1ROCK1LCKGRM4
SCHEMBL6707644 0.89 LMNA (0.38) ROCK2TRPA1ROCK1LCKGRM4
SCHEMBL6710337 0.89 ROCK1 (0.41) ROCK2TRPA1ROCK1HSD11B1LCK
SCHEMBL6711759 0.89 HIF1A (0.37) TRPA1ROCK1HSD11B1LCKGRM4
SCHEMBL6707965 0.86 NTRK1 (0.35) TRPA1NTRK1HSD11B1WDR5SLC22A12
SCHEMBL6713525 0.85 ROCK1 (0.36) TRPA1ROCK1NTRK1WDR5LCK
SCHEMBL6711975 0.85 TRPA1 (0.46) ROCK2TRPA1ROCK1LCKGRM4
SCHEMBL6835629 0.83 ALB (0.39) TRPA1ROCK1NTRK1WDR5AR
SCHEMBL6707942 0.81 LCK (0.37) ROCK2LCK
SCHEMBL6708021 0.81 MAPT (0.41) ROCK2TRPA1LCK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 ROCK2 4868/4885TRPA1 594/4885ROCK1 4830/4885

“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.