SCHEMBL23035409

SCHEMBL23035409

Cc1ccc(N)c(F)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
CYP3A4 P08684 5/20 0.52
ALDH1A1 P00352 8/20 0.50
TDP1 Q9NUW8 6/20 0.50
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ACHE P22303 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL28659258 0.85 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL10686251 0.84 ALDH1A1 (0.58) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL22288521 0.84 MEN1 (0.46) TSHRCYP3A4ALDH1A1TDP1SMN1; SMN2
SCHEMBL938653 0.82 TSHR (0.57) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL823521 0.80 TSHR (0.55) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL23035421 0.80 ALDH1A1 (0.42) TSHRCYP3A4ALDH1A1TDP1SMN1; SMN2
SCHEMBL2056619 0.80 TSHR (0.55) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL11095255 0.77 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL11882257 0.77 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL1896028 0.77 GAA (0.52) TSHRCYP3A4ALDH1A1TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112368268-B Phenyl bitriazole MLL1-WDR5 protein-protein interaction inhibitor 中国药科大学 2025-03-04 CN disclosed
EP-3786157-B1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR UNIV CHINA PHARMA (CN) 2024-08-07 EP disclosed
US-12054478-B2 Compositions and methods for inhibiting phenyl triazole MLL1-WDR5 protein-protein interaction HUYABIO INTERNATIONAL, LLC (US) 2024-08-06 US disclosed
US-20230098016-A1 COMPOSITIONS AND METHODS FOR INHIBITING PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-03-30 US disclosed
US-11479545-B2 Compositions and methods for inhibiting phenyl triazole MLL1-WDR5 protein-protein interaction CHINA PHARMACEUTICAL UNIVERSITY (CN) 2022-10-25 US disclosed
US-20210139466-A1 COMPOSITIONS AND METHODS FOR INHIBITING PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION CHINA PHARMACEUTICAL UNIVERSITY (CN) 2021-05-13 US disclosed
EP-3786157-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR China Pharmaceutical University (CN) 2021-03-03 EP 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 (4 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-20210139466-A1 COMPOSITIONS AND METHODS FOR INHIBITING PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION WDR5, MLLT1, WDR1 TSHR 4658/4885CYP3A4 2672/4885ALDH1A1 3515/4885
US-12054478-B2 Compositions and methods for inhibiting phenyl triazole MLL1-WDR5 protein-protein interaction WDR5, MLLT1, WDR1 TSHR 4658/4885CYP3A4 2672/4885ALDH1A1 3515/4885
US-20230098016-A1 COMPOSITIONS AND METHODS FOR INHIBITING PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION WDR5, MLLT1, WDR1 TSHR 4658/4885CYP3A4 2672/4885ALDH1A1 3515/4885
US-11479545-B2 Compositions and methods for inhibiting phenyl triazole MLL1-WDR5 protein-protein interaction WDR5, MLLT1, WDR1 TSHR 4658/4885CYP3A4 2672/4885ALDH1A1 3515/4885

“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.