SCHEMBL25822192

SCHEMBL25822192

O=C(Nc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.76
MEN1 O00255 8/20 0.76
MAPT P10636 3/20 0.76
POLB P06746 1/20 0.76
BLM P54132 1/20 0.76
CYP1A2 P05177 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP3A4 P08684 1/20 0.67
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
THRA P10827 1/20 0.64
CYP2D6 P10635 1/20 0.64
HPGD P15428 1/20 0.64
CYP2C19 P33261 1/20 0.64
HTT P42858 1/20 0.64
ALDH1A1 P00352 2/20 0.62
SETD7 Q8WTS6 1/20 0.62
P2RY2 P41231 1/20 0.61
GPR17 Q13304 1/20 0.61
TRPV1 Q8NER1 1/20 0.60

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
SCHEMBL16430901 0.94 MEN1 (0.81) KMT2AMEN1MAPTPOLBBLM
SCHEMBL10943066 0.90 KMT2A (0.94) KMT2AMEN1MAPTPOLBBLM
SCHEMBL27903466 0.87 KMT2A (0.86) KMT2AMEN1MAPTPOLBBLM
SCHEMBL32690121 0.87 MEN1 (1.00) KMT2AMEN1MAPTPOLBBLM
SCHEMBL18300094 0.87 MEN1 (1.00) KMT2AMEN1MAPTPOLBBLM
SCHEMBL6155499 0.86 MAPT (0.76) KMT2AMEN1MAPTPOLBBLM
SCHEMBL299879 0.85 KMT2A (0.88) KMT2AMEN1MAPTPOLBBLM
SCHEMBL30868371 0.85 KMT2A (0.88) KMT2AMEN1MAPTPOLBBLM
SCHEMBL3817483 0.84 MEN1 (0.71) KMT2AMEN1MAPTPOLBBLM
SCHEMBL17409104 0.84 MEN1 (0.78) KMT2AMEN1MAPTPOLBBLM

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
CN-102531949-A Substituted benzamide compounds and preparation method and application thereof INST MATERIA MEDICA CAMS 2012-07-04 CN 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA KMT2A 4131/4885MEN1 1172/4885MAPT 3976/4885

“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.