SCHEMBL25819890

SCHEMBL25819890

O=C(Nc1cccc(Nc2ccccc2)c1)c1cccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.68
MAPT P10636 4/20 0.68
USP2 O75604 2/20 0.68
DNMT1 P26358 6/20 0.63
DNMT3A Q9Y6K1 6/20 0.63
POLB P06746 2/20 0.61
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
THRB P10828 1/20 0.61
MAPK1 P28482 1/20 0.61
MCL1 Q07820 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
BRAF P15056 1/20 0.55
MAPK14 Q16539 1/20 0.53
DNMT3L Q9UJW3 4/20 0.53
EHMT1 Q9H9B1 2/20 0.53
MEN1 O00255 4/20 0.51
BLM P54132 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.50
CCNC P24863 1/20 0.49

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
SCHEMBL13335888 0.96 KMT2A (0.74) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL30232549 0.94 KMT2A (0.78) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL19151496 0.94 KMT2A (0.78) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL13335884 0.94 MAPT (0.77) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL13335886 0.89 KMT2A (0.85) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL13335917 0.89 DNMT1 (0.69) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL3076951 0.87 KMT2A (0.67) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL3076947 0.87 KMT2A (0.67) KMT2AMAPTUSP2DNMT1DNMT3A
Hydrochloric Acid SCHEMBL1884267 0.87 KMT2A (0.66) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL13335900 0.86 MAPT (0.66) KMT2AMAPTUSP2DNMT1DNMT3A

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 4131/4885MAPT 3976/4885USP2 4143/4885

“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.