SCHEMBL6833427

SCHEMBL6833427

Cn1c(C(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4C(=O)O)n(C)c23)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 2/20 0.50
▸ TRPA1 O75762 1/20 0.48
▸ LMNA P02545 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MCL1 Q07820 1/20 0.44
▸ KDM1A O60341 2/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ MAOA P21397 1/20 0.41
▸ PHGDH O43175 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LCK P06239 1/20 0.40
▸ ROCK1 Q13464 1/20 0.39

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 0.93 ALB (0.56) ALBTRPA1LMNAMAPTTP53
SCHEMBL6833763 0.87 ALB (0.39) ALBLMNAMAPTTP53KMT2A
SCHEMBL6833985 0.86 ALB (0.42) ALBTRPA1LMNAMAPTTP53
SCHEMBL6834424 0.86 ALB (0.43) ALBLMNAMAPTTP53KMT2A
SCHEMBL6830673 0.86 TRPA1 (0.46) ALBTRPA1LMNAMAPTTP53
SCHEMBL6835787 0.86 CFD (0.47) ALBLMNAKMT2AMEN1RAB9A
SCHEMBL6834598 0.85 SERPINE1 (0.42) ALBTRPA1LMNAMAPTTP53
SCHEMBL6830635 0.85 ALB (0.41) ALBTRPA1LMNAMAPTTP53
SCHEMBL6834048 0.84 ALB (0.42) ALBLMNAMAPTTP53MCL1
SCHEMBL6833840 0.84 LMNA (0.42) ALBTRPA1LMNAMAPTTP53

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 ALB 1417/4885TRPA1 377/4885LMNA 3376/4885

“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.

Send feedback