SCHEMBL26310094

SCHEMBL26310094

O=C(Nc1cccc(Br)n1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 3/20 0.53
KDR P35968 1/20 0.53
MEN1 O00255 6/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 3/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
MITF O75030 1/20 0.51
MAPT P10636 2/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
KDM4E B2RXH2 1/20 0.51
SCD O00767 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL25822310 0.86 KMT2A (0.82) KMT2ANPC1RAB9AKDRMEN1
SCHEMBL16899268 0.86 KMT2A (0.72) KMT2ANPC1RAB9AKDRMEN1
SCHEMBL28808121 0.81 RXFP1 (0.78) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23286796 0.81 KMT2A (0.77) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29738098 0.81 KMT2A (0.77) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16899271 0.80 KMT2A (0.60) KMT2ANPC1RAB9AKDRMEN1
SCHEMBL28808130 0.80 CHRNB2 (0.60) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL26310096 0.78 MAPT (0.69) KMT2ANPC1RAB9AKDRMEN1
SCHEMBL26673907 0.77 KMT2A (0.60) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL8212003 0.77 MEN1 (0.81) KMT2ANPC1RAB9AKDRMEN1

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR KMT2A 3925/4885CHRNB2 4618/4885CHRNA4 4732/4885

“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.