SCHEMBL6830404

SCHEMBL6830404

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2ccc(Br)c(N)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.41
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
MAP2K1 Q02750 1/20 0.35
TP53 P04637 1/20 0.35
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
KLKB1 P03952 1/20 0.33
PRSS1 P07477 1/20 0.33
AKR1C2 P52895 2/20 0.33
AKR1C1 Q04828 2/20 0.33
CDK2 P24941 1/20 0.33
TRPA1 O75762 1/20 0.33
GPR35 Q9HC97 1/20 0.33
AKR1C4 P17516 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
SCHEMBL6834027 0.87 ALB (0.40) ALBMAPTMAP2K1CXCR1CXCR2
SCHEMBL6830635 0.87 ALB (0.41) ALBLMNAMAPTTP53CXCR1
SCHEMBL6830562 0.85 ALB (0.42) ALBMAPTMAP2K1TP53CXCR1
SCHEMBL6833985 0.82 ALB (0.42) ALBLMNAMAPTTP53CXCR1
SCHEMBL6834598 0.79 SERPINE1 (0.42) ALBLMNAMAPTTP53KMT2A
SCHEMBL6711703 0.79 MAPK8 (0.31) MAP2K1CXCR1CXCR2
SCHEMBL6833427 0.78 ALB (0.50) ALBLMNAMAPTTP53KMT2A
SCHEMBL6818878 0.78 ALB (0.56) ALBLMNAMAPTTP53KMT2A
SCHEMBL6707814 0.78 GRIK1 (0.33) MAPTKLKB1GPR35
SCHEMBL6833840 0.78 LMNA (0.42) ALBLMNAMAPTTP53KMT2A

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-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 1417/4885LMNA 3376/4885MAPT 4759/4885

“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.