SCHEMBL6710104

SCHEMBL6710104

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
PKM P14618 1/20 0.33
ROCK2 O75116 3/20 0.33
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
LMNA P02545 2/20 0.32
GRM4 Q14833 1/20 0.31
THRB P10828 1/20 0.31
PDE10A Q9Y233 1/20 0.31
GRM5 P41594 1/20 0.31
KMT2A Q03164 1/20 0.31
FBP1 P09467 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
SCHEMBL6713833 0.90 CXCR1 (0.34) TRPA1PKMROCK2CXCR1CXCR2
SCHEMBL6710210 0.89 GSK3A (0.36) TRPA1THRBGRM5KMT2A
SCHEMBL6709087 0.88 TRPA1 (0.42) TRPA1ROCK2LMNAGRM4KMT2A
SCHEMBL6708989 0.88 LMNA (0.38) TRPA1PKMROCK2LMNAGRM4
SCHEMBL6711902 0.88 THRB (0.37) TRPA1PKMLMNAGRM4THRB
SCHEMBL6709167 0.87 SCN2A (0.36) TRPA1ROCK2LMNA
SCHEMBL6708677 0.87 PKM (0.34) TRPA1PKMROCK2LMNATHRB
SCHEMBL6713815 0.86 HIF1A (0.41) LMNAGRM4KMT2A
SCHEMBL6708796 0.86 RXFP1 (0.39) LMNAGRM4KMT2A
SCHEMBL6711975 0.86 TRPA1 (0.46) TRPA1ROCK2LMNAGRM4KMT2A

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 TRPA1 594/4885PKM 3958/4885ROCK2 4868/4885

“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.