SCHEMBL6711652

SCHEMBL6711652

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.33
F10 P00742 1/20 0.32
TRPA1 O75762 1/20 0.32
NAMPT P43490 4/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
ROCK2 O75116 1/20 0.30
MAPK14 Q16539 1/20 0.30

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 0.88 HIF1A (0.40) FBP1NAMPTKMT2ALMNA
SCHEMBL6711949 0.88 GRM4 (0.36) FBP1F10NAMPTPTGDR2
SCHEMBL6710210 0.86 GSK3A (0.36) F10TRPA1KMT2APTGDR2
SCHEMBL6710104 0.85 TRPA1 (0.33) FBP1TRPA1KMT2ALMNAROCK2
SCHEMBL6711936 0.85 FEN1 (0.34) FBP1F10TRPA1NAMPTPTGDR2
SCHEMBL6713833 0.85 CXCR1 (0.34) TRPA1KMT2ALMNAROCK2
SCHEMBL6709087 0.84 TRPA1 (0.42) TRPA1KMT2ALMNAROCK2
SCHEMBL6708989 0.84 LMNA (0.38) TRPA1KMT2ALMNAROCK2MAPK14
SCHEMBL6710384 0.84 F10 (0.33) FBP1F10SIRT2
SCHEMBL6711902 0.83 THRB (0.37) F10TRPA1KMT2ALMNA

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 FBP1 1709/4885F10 2246/4885TRPA1 594/4885

“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.