SCHEMBL6710337

SCHEMBL6710337

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.41
HSD11B1 P28845 5/20 0.39
GRM4 Q14833 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GRM5 P41594 1/20 0.37
ROCK2 O75116 1/20 0.36
F10 P00742 3/20 0.35
LCK P06239 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPA1 O75762 1/20 0.35
TP53 P04637 1/20 0.35
F2 P00734 1/20 0.35
KLK1 P06870 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
SCHEMBL6711759 0.91 HIF1A (0.37) ROCK1HSD11B1GRM4RXFP1F10
SCHEMBL6713269 0.90 ROCK1 (0.42) ROCK1GRM4RXFP1ROCK2F10
SCHEMBL6711840 0.89 ROCK1 (0.43) ROCK1GRM4RXFP1ROCK2F10
SCHEMBL6710172 0.89 ROCK2 (0.35) ROCK1HSD11B1GRM4ROCK2LCK
SCHEMBL6711396 0.86 HSD11B1 (0.38) ROCK1HSD11B1GRM4RXFP1GRM5
SCHEMBL6711766 0.85 ROCK1 (0.42) ROCK1HSD11B1GRM4RXFP1GRM5
SCHEMBL6713205 0.84 GRM4 (0.52) ROCK1GRM4RXFP1LCK
SCHEMBL6707646 0.81 RXFP1 (0.45) ROCK1GRM4RXFP1ROCK2KDM4E
SCHEMBL6710009 0.81 LCK (0.40) ROCK1GRM4RXFP1ROCK2LCK
SCHEMBL6707804 0.80 MAPT (0.43) ROCK1GRM4RXFP1F10KDM4E

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 ROCK1 4830/4885HSD11B1 3068/4885GRM4 4668/4885

“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.