SCHEMBL6707599

SCHEMBL6707599

Cn1c(C(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4-c4noc(=O)[nH]4)[nH]c23)cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
ROCK1 Q13464 2/20 0.39
GRM4 Q14833 1/20 0.37
LCK P06239 3/20 0.37
KDM1A O60341 2/20 0.36
MAOA P21397 1/20 0.35
PLA2G7 Q13093 1/20 0.35
LMNA P02545 1/20 0.35
NSD2 O96028 1/20 0.34
HSP90AB1 P08238 1/20 0.34
IMPDH2 P12268 1/20 0.33
FYN P06241 1/20 0.33
DGAT1 O75907 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
TP53 P04637 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
SCHEMBL6710317 0.91 ROCK1 (0.45) TRPA1ROCK1GRM4LCKKDM1A
SCHEMBL6707719 0.89 ROCK1 (0.41) TRPA1ROCK1GRM4LCKKDM1A
SCHEMBL6707732 0.89 ROCK1 (0.41) ROCK1GRM4LCKLMNANSD2
SCHEMBL6709017 0.89 GRM4 (0.44) ROCK1GRM4LCKPLA2G7LMNA
SCHEMBL6708854 0.87 KMT2A (0.42) PLA2G7NSD2
SCHEMBL6711762 0.87 MAP3K5 (0.41) PLA2G7LMNANSD2TP53
SCHEMBL6713406 0.86 NPC1 (0.41) PLA2G7LMNACCKARCCKBR
SCHEMBL6710393 0.86 TRPA1 (0.41) TRPA1ROCK1GRM4LCKKDM1A
SCHEMBL6711934 0.84 PRSS12 (0.39) PLA2G7NSD2
SCHEMBL6709008 0.84 MAPT (0.36) PLA2G7LMNANSD2TP53

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 594/4885ROCK1 4830/4885GRM4 4668/4885

“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.