SCHEMBL6358257

SCHEMBL6358257

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.58
MAOA P21397 1/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 2/20 0.57
PYGL P06737 1/20 0.55
AKR1C2 P52895 5/20 0.53
AKR1C1 Q04828 5/20 0.53
CTSV O60911 1/20 0.52
CTSL P07711 1/20 0.52
AKR1C4 P17516 2/20 0.52
AKR1C3 P42330 2/20 0.52
ALDH1A1 P00352 2/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.49

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
SCHEMBL6352882 0.92 AKR1C2 (0.55) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL6349305 0.91 AKR1C2 (0.66) MAOBMEN1KMT2AMAPTLMNA
SCHEMBL6351828 0.86 PTGES (0.62) MEN1KMT2AMAPTAKR1C2AKR1C1
SCHEMBL4213146 0.85 AKR1C2 (0.61) MAOBMEN1KMT2AMAPTLMNA
SCHEMBL6812445 0.85 MAOB (0.58) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL4208795 0.84 NR4A2 (0.62) MAOBMAPTAKR1C2AKR1C1AKR1C4
SCHEMBL6359602 0.83 AKR1C2 (0.55) MEN1KMT2AMAPTLMNAAKR1C2
SCHEMBL6352508 0.82 AKR1C2 (0.70) MEN1KMT2AMAPTPYGLAKR1C2
SCHEMBL4206544 0.82 NR4A2 (0.64) MAOBMAPTAKR1C2AKR1C1AKR1C4
SCHEMBL8991408 0.80 MAOB (0.79) MAOBMAOAMEN1KMT2AMAPT

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US 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 MAOB 2949/4885MAOA 1903/4885MEN1 3274/4885

“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.