SCHEMBL6710100

SCHEMBL6710100

Cn1c(C(=O)Nc2cccc3cc(C(=O)Nc4ccc(Cl)cc4-c4nnn[nH]4)[nH]c23)cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.44
RXFP1 Q9HBX9 1/20 0.40
ROCK1 Q13464 3/20 0.40
PTK2B Q14289 1/20 0.37
LMNA P02545 1/20 0.36
PLCG2 P16885 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
F10 P00742 1/20 0.36
LCK P06239 2/20 0.36
MAP3K5 Q99683 2/20 0.36
NHERF1 O14745 2/20 0.35
IMPDH2 P12268 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
SCHEMBL6713768 0.91 HIF1A (0.40) GRM4RXFP1ROCK1LMNALCK
SCHEMBL6713205 0.90 GRM4 (0.52) GRM4RXFP1ROCK1LMNAPTGDR2
SCHEMBL6710393 0.88 TRPA1 (0.41) GRM4ROCK1LMNALCKMAP3K5
SCHEMBL6714173 0.88 GRM4 (0.47) GRM4RXFP1ROCK1LMNAPTGDR2
SCHEMBL6713754 0.86 SERPINE1 (0.43) RXFP1PLCG2NHERF1
SCHEMBL6710112 0.86 MAP3K5 (0.45) RXFP1PTK2BLMNAPLCG2F10
SCHEMBL6709017 0.85 GRM4 (0.44) GRM4RXFP1ROCK1PTK2BLMNA
SCHEMBL6711906 0.85 NHERF1 (0.46) LMNAPLCG2F10NHERF1
SCHEMBL6710125 0.83 SERPINE1 (0.48) RXFP1LMNAPLCG2F10NHERF1
SCHEMBL6710087 0.83 PLCG2 (0.39) PTK2BLMNAPLCG2F10MAP3K5

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 4668/4885RXFP1 3836/4885ROCK1 4830/4885

“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.