SCHEMBL6830562

SCHEMBL6830562

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2c(Br)ccc(N)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.42
MAP2K1 Q02750 1/20 0.34
CDK2 P24941 1/20 0.34
GPR35 Q9HC97 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
FBP1 P09467 1/20 0.34
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PRSS12 P56730 1/20 0.33
HTT P42858 1/20 0.33
AKR1C2 P52895 2/20 0.32
AKR1C1 Q04828 2/20 0.32

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 0.88 ALB (0.40) ALBMAP2K1CDK2GPR35FBP1
SCHEMBL6830404 0.85 ALB (0.41) ALBMAP2K1CDK2GPR35CXCR1
SCHEMBL6830543 0.83 ALDH1A1 (0.43) ALBCDK2KMT2AKDM4EALDH1A1
SCHEMBL6830635 0.80 ALB (0.41) ALBCXCR1CXCR2KMT2AHTT
SCHEMBL6711870 0.80 FBP1 (0.31) FBP1
SCHEMBL6710110 0.78 GRIK1 (0.32) GPR35FBP1
SCHEMBL6833968 0.78 LMNA (0.40) ALBCDK2CXCR1CXCR2KMT2A
SCHEMBL6833985 0.75 ALB (0.42) ALBCDK2CXCR1CXCR2KMT2A
SCHEMBL6818878 0.73 ALB (0.56) ALBKMT2ATP53MEN1MAPT
SCHEMBL6834598 0.72 SERPINE1 (0.42) ALBKMT2AALDH1A1HTTTP53

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 1417/4885MAP2K1 4675/4885CDK2 4509/4885

“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.