SCHEMBL29545141

SCHEMBL29545141

CN1CCN(c2ccc([N+](=O)[O-])cc2Nc2cc(Cl)nc(N)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 16/20 1.00
KMT2A Q03164 7/20 1.00
ALDH1A1 P00352 1/20 0.52
CYP2D6 P10635 1/20 0.52
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
HRH4 Q9H3N8 2/20 0.48

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
SCHEMBL24429908 1.00 WDR5 (1.00) WDR5KMT2AALDH1A1CYP2D6GAA
SCHEMBL24429903 0.89 WDR5 (0.80) WDR5KMT2AALDH1A1CYP2D6GAA
SCHEMBL29891301 0.89 WDR5 (0.80) WDR5KMT2AALDH1A1CYP2D6GAA
SCHEMBL29891078 0.83 WDR5 (1.00) WDR5KMT2AALDH1A1CYP2D6GAA
SCHEMBL24429902 0.83 WDR5 (1.00) WDR5KMT2AALDH1A1CYP2D6GAA
SCHEMBL24429895 0.78 WDR5 (1.00) WDR5KMT2AALDH1A1CYP2D6GAA
SCHEMBL29544541 0.78 WDR5 (1.00) WDR5KMT2AALDH1A1CYP2D6GAA
SCHEMBL24429879 0.77 WDR5 (1.00) WDR5KMT2A
SCHEMBL29544609 0.77 WDR5 (1.00) WDR5KMT2A
SCHEMBL24429916 0.76 WDR5 (0.62) WDR5KMT2AALDH1A1CYP2D6GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12453731-B2 Aniline-based WDR5 protein-protein interaction inhibitor, and preparation method and use thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2025-10-28 US disclosed
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 (2 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-12453731-B2 Aniline-based WDR5 protein-protein interaction inhibitor, and preparation method and use thereof MLLT1, WDR77, MLLT3 WDR5 4/4885KMT2A 38/4885ALDH1A1 2270/4885
US-20220152027-A1 ANILINE-BASED WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR, AND PREPARATION METHOD AND USE THEREOF MLLT1, WDR77, MLLT3 WDR5 4/4885KMT2A 38/4885ALDH1A1 2270/4885

“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.