SCHEMBL6713809

SCHEMBL6713809

N#Cc1ccc(NC(=O)c2noc3ccc(-c4ccccc4)cc23)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.43
ROCK1 Q13464 1/20 0.38
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
ACLY P53396 1/20 0.35
KAT6A Q92794 1/20 0.34
DHFR P00374 1/20 0.34
ITK Q08881 1/20 0.34

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
SCHEMBL6709953 0.93 HIF1A (0.43) HIF1AROCK1ACLYKAT6ADHFR
SCHEMBL6708875 0.90 DHODH (0.37) HIF1AROCK1
SCHEMBL6714271 0.89 HIF1A (0.48) HIF1AROCK1
SCHEMBL6709967 0.88 CETP (0.35) HIF1AROCK1
SCHEMBL6710158 0.87 F2 (0.44) HIF1AROCK1
SCHEMBL6707723 0.87 GRIK1 (0.39) HIF1AROCK1CXCR1CXCR2
SCHEMBL6711761 0.87 HIF1A (0.34) HIF1AROCK1
SCHEMBL6713292 0.87 HIF1A (0.47) HIF1AROCK1
SCHEMBL6711725 0.87 HIF1A (0.45) HIF1AROCK1DHFR
SCHEMBL6711660 0.85 HIF1A (0.43) HIF1AROCK1CXCR1CXCR2ACLY

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 HIF1A 296/4885ROCK1 4830/4885CXCR1 3080/4885

“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.