SCHEMBL6349484

SCHEMBL6349484

O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.78
AKR1C3 P42330 1/20 0.78
AKR1C2 P52895 1/20 0.78
AKR1C1 Q04828 1/20 0.78
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
PABPC1 P11940 1/20 0.60
DUSP3 P51452 1/20 0.60
PTPN5 P54829 1/20 0.60
PTPN11 Q06124 1/20 0.60
EIF4H Q15056 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
ALB P02768 1/20 0.58
CTSV O60911 1/20 0.57
CTSL P07711 1/20 0.57
KCNK2 O95069 1/20 0.57
KCNK10 P57789 1/20 0.57
PKM P14618 1/20 0.57
GFER P55789 1/20 0.55
SERPINE1 P05121 1/20 0.55

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
SCHEMBL7752904 0.86 AKR1C4 (0.67) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL13802452 0.85 AKR1C2 (0.78) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL13802477 0.85 AKR1C4 (0.78) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL2024935 0.83 MEN1 (0.71) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL4092971 0.82 KMT2A (0.71) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL6352508 0.81 AKR1C2 (0.70) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL6652239 0.80 CTSV (0.80) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL6349757 0.80 AKR1C2 (0.76) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL6349319 0.80 SERPINE1 (0.85) AKR1C4AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL4950322 0.80 AKR1C4 (0.69) AKR1C4AKR1C3AKR1C2AKR1C1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 AKR1C4 3065/4885AKR1C3 3288/4885AKR1C2 3012/4885

“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.