SCHEMBL6711949

SCHEMBL6711949

Cn1c(C(=O)Nc2ccc(Cl)cc2-c2nnn[nH]2)cc2cccc(S(=O)(=O)c3ccccc3)c21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.36
ROCK1 Q13464 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
F10 P00742 5/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FBP1 P09467 1/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
CPT1B Q92523 1/20 0.33
PHGDH O43175 2/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
NAMPT P43490 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
SCHEMBL6711677 0.90 HIF1A (0.40) GRM4RXFP1PPARGPPARDPPARA
SCHEMBL6711652 0.88 FBP1 (0.33) F10PTGDR2FBP1NAMPT
SCHEMBL6710144 0.86 ROCK1 (0.39) GRM4ROCK1RXFP1F10PHGDH
SCHEMBL6708796 0.85 RXFP1 (0.39) GRM4ROCK1RXFP1MAPT
SCHEMBL6708841 0.84 GRIK1 (0.40) GRM4ROCK1RXFP1PTGDR2CPT2
SCHEMBL6712526 0.84 RXFP1 (0.39) GRM4ROCK1RXFP1F10
SCHEMBL6714173 0.83 GRM4 (0.47) GRM4ROCK1RXFP1PTGDR2MAPT
SCHEMBL6709968 0.83 LMNA (0.39) GRM4ROCK1RXFP1MAPT
SCHEMBL6709776 0.83 ROCK1 (0.36) GRM4ROCK1RXFP1F10
SCHEMBL6833958 0.83 AKR1C4 (0.47) PPARGPPARDPPARA

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 GRM4 4668/4885ROCK1 4830/4885RXFP1 3836/4885

“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.