SCHEMBL25822310

SCHEMBL25822310

O=C(Nc1cccc(Br)n1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.82
MEN1 O00255 7/20 0.62
RAB9A P51151 8/20 0.60
NPC1 O15118 7/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 3/20 0.57
MAPT P10636 3/20 0.57
BLM P54132 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
KDR P35968 1/20 0.55
THRA P10827 1/20 0.54
ALDH1A1 P00352 3/20 0.54
IRAK4 Q9NWZ3 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.53
THRB P10828 1/20 0.53
MAPK9 P45984 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL26310094 0.86 KMT2A (0.60) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11036192 0.84 KMT2A (0.82) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL15043003 0.83 KMT2A (0.70) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL10090737 0.80 ALDH1A1 (0.78) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL1967105 0.80 KMT2A (0.82) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL25822054 0.80 KMT2A (0.66) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL23286796 0.78 KMT2A (0.77) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL29738098 0.78 KMT2A (0.77) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL15043002 0.78 KMT2A (0.70) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL10090736 0.77 KMT2A (0.70) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA KMT2A 4131/4885MEN1 1172/4885RAB9A 1255/4885

“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.