SCHEMBL24429910

SCHEMBL24429910

CN1CCN(c2ccc([N+](=O)[O-])cc2Nc2ncccn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 17/20 0.65
KMT2A Q03164 5/20 0.65
GAA P10253 2/20 0.59
ALDH1A1 P00352 4/20 0.55
CYP2D6 P10635 1/20 0.55
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL29891168 1.00 WDR5 (0.65) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL24429916 0.87 WDR5 (0.62) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL29545343 0.87 WDR5 (0.62) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL24429876 0.85 WDR5 (0.66) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL29544904 0.85 WDR5 (0.66) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL24429902 0.79 WDR5 (1.00) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL29891078 0.79 WDR5 (1.00) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL29891034 0.79 WDR5 (0.67) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL24429875 0.79 WDR5 (0.67) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL24429939 0.77 WDR5 (0.80) WDR5KMT2AGAAALDH1A1CYP2D6

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
CN-109734674-B Aniline WDR5 protein-protein interaction inhibitor and preparation method and application thereof 中国药科大学 2022-08-26 CN disclosed
US-20220152027-A1 ANILINE-BASED WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR, AND PREPARATION METHOD AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2022-05-19 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-20220152027-A1 ANILINE-BASED WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR, AND PREPARATION METHOD AND USE THEREOF MLLT1, WDR77, MLLT3 WDR5 4/4885KMT2A 38/4885GAA 4601/4885

“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.