SCHEMBL6830673

SCHEMBL6830673

Cn1c(C(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4C(=O)O)[nH]c23)cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
ALB P02768 2/20 0.46
KDM1A O60341 2/20 0.42
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAOA P21397 1/20 0.40
MCL1 Q07820 1/20 0.40
GRM4 Q14833 1/20 0.40
PHGDH O43175 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
NSD2 O96028 1/20 0.39
ROCK1 Q13464 1/20 0.38
NHERF1 O14745 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL6818878 0.88 ALB (0.56) TRPA1ALBKDM1ALMNATP53
SCHEMBL6833427 0.86 ALB (0.50) TRPA1ALBKDM1ALMNATP53
SCHEMBL6834154 0.85 KMT2A (0.49) ALBMAPTNR1H4NHERF1
SCHEMBL6833137 0.84 MAP3K5 (0.44) ALBNR1H4NSD2NHERF1
SCHEMBL6835708 0.84 CCKAR (0.51) LMNANHERF1
SCHEMBL6834385 0.83 SERPINE1 (0.51) ALBNR1H4NHERF1
SCHEMBL6710393 0.82 TRPA1 (0.41) TRPA1KDM1ALMNATP53MAPT
SCHEMBL6830151 0.82 ALB (0.42) ALBLMNATP53MAPTNR1H4
SCHEMBL6835688 0.82 GFER (0.45) ALBLMNATP53NR1H4NSD2
SCHEMBL6707599 0.82 TRPA1 (0.41) TRPA1KDM1ALMNATP53MAOA

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 TRPA1 377/4885ALB 1417/4885KDM1A 371/4885

“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.