SCHEMBL6834138

SCHEMBL6834138

CN(C)c1ccc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.46
ALB P02768 2/20 0.40
F10 P00742 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
CDK2 P24941 1/20 0.36
SLC16A3 O15427 1/20 0.35
GPR35 Q9HC97 1/20 0.34
MAP2K1 Q02750 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
SIRT2 Q8IXJ6 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
SCHEMBL6834035 0.88 ALB (0.38) HIF1AALBF10CDK2PDE10A
SCHEMBL6830530 0.86 ALB (0.40) HIF1AALBF10CDK2ALDH1A1
SCHEMBL6835695 0.85 ALB (0.46) HIF1AALBALDH1A1PKMSIRT2
SCHEMBL6830124 0.85 AKR1C2 (0.43) HIF1AALBCDK2GPR35ALDH1A1
SCHEMBL6814370 0.85 ALB (0.42) HIF1AALBCDK2MAP2K1PDE10A
SCHEMBL6835869 0.84 HIF1A (0.41) HIF1AALB
SCHEMBL6833074 0.84 ALB (0.41) HIF1AALBF10CDK2
SCHEMBL6818914 0.84 HIF1A (0.39) HIF1AALBF10CDK2MAP2K1
SCHEMBL6830490 0.83 HIF1A (0.55) HIF1AALBCDK2
SCHEMBL6834186 0.83 HIF1A (0.49) HIF1AALBCDK2

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 HIF1A 220/4885ALB 1417/4885F10 2314/4885

“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.