SCHEMBL6833985

SCHEMBL6833985

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(O)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.42
GFER P55789 2/20 0.41
HTT P42858 1/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
AKR1C4 P17516 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PTPN11 Q06124 2/20 0.38
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NOTUM Q6P988 1/20 0.38
CDK2 P24941 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
SCHEMBL6830635 0.89 ALB (0.41) ALBGFERHTTCXCR1CXCR2
SCHEMBL6834598 0.87 SERPINE1 (0.42) ALBGFERHTTALDH1A1PTPN11
SCHEMBL6833427 0.86 ALB (0.50) ALBMEN1KMT2ALMNATP53
SCHEMBL6833840 0.85 LMNA (0.42) ALBGFERHTTAKR1C4AKR1C3
SCHEMBL6834424 0.85 ALB (0.43) ALBGFERHTTMEN1KMT2A
SCHEMBL6830752 0.84 ALB (0.40) ALBGFERHTTALDH1A1KMT2A
SCHEMBL6833763 0.84 ALB (0.39) ALBGFERHTTMEN1KMT2A
SCHEMBL6818896 0.84 BRPF1 (0.40) ALBHTTLMNATP53MAPT
SCHEMBL6818878 0.84 ALB (0.56) ALBMEN1KMT2ALMNATP53
SCHEMBL6834048 0.84 ALB (0.42) ALBHTTKMT2ALMNATP53

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 3 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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 1417/4885GFER 900/4885HTT 1599/4885

“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.