SCHEMBL6833928

SCHEMBL6833928

N#Cc1ccc(NC(=O)c2noc3ccc([N+](=O)[O-])cc23)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.47
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PYGL P06737 1/20 0.43
ALB P02768 2/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
KCNK2 O95069 1/20 0.41
KCNK10 P57789 1/20 0.41
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KCNMA1 Q12791 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6833135 0.84 KCNK2 (0.40) HIF1AAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6830124 0.84 AKR1C2 (0.43) HIF1AAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6814370 0.84 ALB (0.42) HIF1AALBCDK2
SCHEMBL6830645 0.83 ALB (0.48) HIF1AALBMAOAMAOBCDK2
SCHEMBL6830490 0.83 HIF1A (0.55) HIF1AALBCDK2
SCHEMBL6834186 0.82 HIF1A (0.49) HIF1AALBCDK2
Sulfuric Acid SCHEMBL6834053 0.82 KCNK2 (0.38) HIF1AAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6834138 0.82 HIF1A (0.46) HIF1AALBCDK2
SCHEMBL6835869 0.82 HIF1A (0.41) HIF1AALB
SCHEMBL6707767 0.81 HIF1A (0.42) HIF1ALMNACYP1A2PYGLKMT2A

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 220/4885AKR1C4 2813/4885AKR1C3 2981/4885

“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.