SCHEMBL25826240

SCHEMBL25826240

O=C(O)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MAPT P10636 5/20 0.57
USP2 O75604 2/20 0.57
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.48
MCL1 Q07820 1/20 0.48
MAPKAPK2 P49137 1/20 0.45
HCAR3 P49019 2/20 0.43
MEN1 O00255 3/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
LMNA P02545 1/20 0.41
EGFR P00533 1/20 0.41
PIN1 Q13526 3/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL25826242 0.88 MAPT (0.54) KMT2AMAPTUSP2CCNCCDK8
SCHEMBL17675323 0.85 KMT2A (0.72) KMT2AMAPTUSP2CCNCCDK8
SCHEMBL25825372 0.84 KMT2A (0.70) KMT2AMAPTUSP2CCNCCDK8
SCHEMBL19151335 0.82 MAPT (0.82) KMT2AMAPTUSP2TDP1KDM4E
SCHEMBL30180657 0.82 MAPT (0.82) KMT2AMAPTUSP2TDP1KDM4E
SCHEMBL23999793 0.81 HCAR3 (0.50) KMT2AKDM4EALDH1A1MAPKAPK2HCAR3
SCHEMBL25826256 0.81 HCAR3 (0.50) KMT2AMAPTCDK8TDP1KDM4E
SCHEMBL23999501 0.80 HCAR3 (0.48) MAPTTDP1KDM4EALDH1A1MAPK1
SCHEMBL23999974 0.79 GAK (0.48) CCNCCDK8MAPKAPK2HCAR3
SCHEMBL23999540 0.79 HCAR3 (0.47) MAPTTDP1KDM4EALDH1A1MAPK1

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-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR KMT2A 3974/4885MAPT 3999/4885USP2 3935/4885

“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.