SCHEMBL6709776

SCHEMBL6709776

Cn1c(C(=O)Nc2ccc(Cl)cc2-c2nnn[nH]2)cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.36
F10 P00742 8/20 0.36
PTGS2 P35354 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
AVPR2 P30518 1/20 0.34
GPR27 Q9NS67 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
CCR9 P51686 1/20 0.34
HSD11B1 P28845 1/20 0.34
GRM4 Q14833 1/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL6711796 0.91 HIF1A (0.36) ROCK1F10RXFP1CCR9F2
SCHEMBL6710144 0.90 ROCK1 (0.39) ROCK1F10RXFP1GRM4
SCHEMBL6710384 0.88 F10 (0.33) ROCK1F10F2PRSS1PRSS2
SCHEMBL6711650 0.88 SERPINE1 (0.38) ROCK1F10RXFP1GRM4
SCHEMBL6712077 0.84 GRIK1 (0.39) ROCK1F10RXFP1AVPR2GPR27
SCHEMBL6709968 0.84 LMNA (0.39) ROCK1RXFP1GRM4
SCHEMBL6708796 0.84 RXFP1 (0.39) ROCK1RXFP1GRM4
SCHEMBL6711863 0.84 GRM4 (0.37) ROCK1F10RXFP1HSD11B1GRM4
SCHEMBL6712526 0.83 RXFP1 (0.39) ROCK1F10RXFP1GRM4
SCHEMBL6711949 0.83 GRM4 (0.36) ROCK1F10RXFP1GRM4

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 4830/4885F10 2246/4885PTGS2 1789/4885

“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.