SCHEMBL6352882

SCHEMBL6352882

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(OCCc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 5/20 0.55
AKR1C1 Q04828 5/20 0.55
PYGL P06737 2/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
AKR1C4 P17516 2/20 0.49
AKR1C3 P42330 2/20 0.49
ALDH1A1 P00352 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
PLK1 P53350 2/20 0.46
KCNK2 O95069 1/20 0.46
KCNK10 P57789 1/20 0.46

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
SCHEMBL6358257 0.92 MAOB (0.58) AKR1C2AKR1C1PYGLMEN1KMT2A
SCHEMBL6349305 0.83 AKR1C2 (0.66) AKR1C2AKR1C1PYGLMEN1KMT2A
SCHEMBL6349641 0.82 PLK1 (0.60) AKR1C2AKR1C1MEN1KMT2AMAPT
SCHEMBL6352508 0.80 AKR1C2 (0.70) AKR1C2AKR1C1PYGLMEN1KMT2A
SCHEMBL6349385 0.80 AKR1C2 (0.71) AKR1C2AKR1C1MEN1KMT2AMAPT
SCHEMBL6351828 0.79 PTGES (0.62) AKR1C2AKR1C1MEN1KMT2AMAPT
SCHEMBL6353212 0.79 AKR1C2 (0.66) AKR1C2AKR1C1MEN1KMT2AMAPT
SCHEMBL4213146 0.77 AKR1C2 (0.61) AKR1C2AKR1C1MEN1KMT2AMAPT
SCHEMBL6346862 0.77 AKR1C2 (0.80) AKR1C2AKR1C1MEN1KMT2AMAPT
SCHEMBL6350022 0.77 AKR1C2 (0.72) AKR1C2AKR1C1MEN1KMT2AMAPT

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 2 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

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 AKR1C2 3012/4885AKR1C1 2615/4885PYGL 4048/4885

“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.