SCHEMBL6835780

SCHEMBL6835780

CC(=O)Oc1ccc2c(C(=O)Nc3ccc(C#N)cc3C(=O)OC(C)(C)C)noc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.35
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 2/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PDE10A Q9Y233 1/20 0.33
GPR6 P46095 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
THRB P10828 1/20 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
SCHEMBL6833638 0.88 KDM4E (0.41) HIF1AGAAKDM4EALDH1A1GLA
SCHEMBL6833230 0.87 HIF1A (0.37) HIF1AGAAALDH1A1TP53POLB
SCHEMBL6819112 0.86 ABCB1 (0.33) KDM4EALDH1A1HSD17B10TP53POLB
SCHEMBL6919933 0.85 ALB (0.37) HIF1AGAAALDH1A1POLBMAPT
SCHEMBL6822117 0.81 HIF1A (0.37) HIF1AGAAALDH1A1TP53POLB
SCHEMBL6815114 0.81 HIF1A (0.37) HIF1AGAAALDH1A1HPGDMAPT
SCHEMBL6832994 0.79 HIF1A (0.46) HIF1AKDM4EALDH1A1CASP1CASP7
SCHEMBL6830643 0.79 ALB (0.36) HIF1AGAAALDH1A1TP53POLB
SCHEMBL6711918 0.78 HIF1A (0.36) HIF1AGAAKDM4EALDH1A1GLA
SCHEMBL7069805 0.78 HIF1A (0.38) HIF1AGAAALDH1A1MAPTPDE10A

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 220/4885GAA 143/4885KDM4E 1240/4885

“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.