SCHEMBL6774797

SCHEMBL6774797

O=C(O)CNCc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 2/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.39
FBP1 P09467 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
S100A4 P26447 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL7644495 0.89 MAPT (0.41) CYP1A2MAPK1PKMRAB9AKDM4E
SCHEMBL3760394 0.83 ALDH1A1 (0.49) CYP1A2MAPK1KDM4EALDH1A1KMT2A
SCHEMBL6775866 0.83 CYP1A2 (0.49) CYP1A2MAPK1RAB9AALDH1A1MAPT
SCHEMBL27289329 0.82 FBP1 (0.51) CYP1A2MAPK1PKMRAB9AKDM4E
SCHEMBL1224216 0.80 CYP1A2 (0.69) CYP1A2MAPK1PKMRAB9AKDM4E
SCHEMBL2813817 0.80 CYP1A2 (0.69) CYP1A2MAPK1PKMRAB9AKDM4E
SCHEMBL6784812 0.80 MEN1 (0.48) CYP1A2MAPK1PKMRAB9AALDH1A1
SCHEMBL6779809 0.80 MEN1 (0.52) MAPK1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL27875770 0.79 CYP1A2 (0.67) CYP1A2MAPK1PKMRAB9AKDM4E
SCHEMBL6775069 0.79 ALDH1A1 (0.56) RAB9AKDM4EALDH1A1KMT2AMAPT

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-6825191-B2 ANTICOAGULANT AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
US-20030186969-A1 Benzodiazepine derivatives AJINOMOTO CO. INC (JP) 2003-10-02 US disclosed
EP-1329450-A1 BENZODIAZEPINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-07-23 EP 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-20030186969-A1 Benzodiazepine derivatives GABRA1, F11, GABRA4 CYP1A2 61/4885MAPK1 1817/4885PKM 903/4885

“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.