SCHEMBL20128511

SCHEMBL20128511

CC(=O)CNc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
PKM P14618 4/20 0.51
MAPK1 P28482 2/20 0.51
RAB9A P51151 2/20 0.51
HCAR3 P49019 7/20 0.50
LMNA P02545 1/20 0.49
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
STAT3 P40763 1/20 0.44

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
SCHEMBL16423449 0.88 ALDH1A1 (0.60) KDM4EPKMMAPK1RAB9AHCAR3
SCHEMBL16423450 0.88 ALDH1A1 (0.60) KDM4EPKMMAPK1RAB9AHCAR3
SCHEMBL22278705 0.87 LMNA (0.55) KDM4EPKMMAPK1RAB9AHCAR3
SCHEMBL30116269 0.87 KDM4E (0.52) KDM4EPKMMAPK1RAB9AHCAR3
SCHEMBL20271129 0.87 KDM4E (0.52) KDM4EPKMMAPK1RAB9AHCAR3
SCHEMBL14249111 0.86 LMNA (0.48) KDM4EPKMMAPK1RAB9AHCAR3
SCHEMBL28518931 0.85 ALDH1A1 (0.51) KDM4EPKMMAPK1RAB9AHCAR3
SCHEMBL17038122 0.85 MAPT (0.56) KDM4EMAPK1HCAR3LMNAKMT2A
SCHEMBL16424383 0.84 PKM (0.69) KDM4EPKMMAPK1RAB9AHCAR3
SCHEMBL906299 0.83 RECQL (0.54) KDM4EPKMMAPK1RAB9AHCAR3

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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 KDM4E 478/4885PKM 1910/4885MAPK1 2150/4885

“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.