SCHEMBL20936742

SCHEMBL20936742

CC1(C)OB(c2cc(CNC3CCCCC3)ccc2F)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.39
KCNH2 Q12809 3/20 0.38
TSHR P16473 1/20 0.38
HDAC1 Q13547 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PABPC1 P11940 1/20 0.38
PARP1 P09874 1/20 0.36

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
SCHEMBL20605220 0.94 CYP3A4 (0.37) HRH3POLBALDH1A1KCNH2MEN1
SCHEMBL18954051 0.84 CYP3A4 (0.37) HRH3POLBALDH1A1KCNH2MEN1
SCHEMBL28690594 0.78 HRH3 (0.53) HRH3POLBALDH1A1KDM4ETSHR
SCHEMBL18587273 0.76 ERCC1 (0.44) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20605083 0.76 LPL (0.35) MEN1KMT2A
SCHEMBL24745864 0.74 ALDH1A1 (0.57) HRH3POLBALDH1A1KDM4E
SCHEMBL17045814 0.74 KMT2A (0.43) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20605102 0.74 HRH3 (0.51) HRH3POLBALDH1A1KDM4EKCNH2
SCHEMBL14470730 0.74 HIF1A (0.39)
SCHEMBL15941075 0.73 CYP4F2 (0.40)

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
EP-4493182-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR Huyabio International, LLC (US) 2025-01-22 EP disclosed
WO-2023177593-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC (US) 2023-09-21 WO disclosed
WO-2023177593-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC (US) 2023-09-21 WO disclosed
US-20230286925-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC 2023-09-14 US disclosed
US-20230286925-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC 2023-09-14 US disclosed
US-11174250-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2021-11-16 US disclosed
US-20190119264-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING Propellon Therapeutics Inc. (CA) 2019-04-25 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 (3 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-11174250-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 HRH3 1224/4885POLB 3493/4885ALDH1A1 3365/4885
US-20190119264-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING WDR5, WDR82, WDR1 HRH3 2541/4885POLB 3119/4885ALDH1A1 3617/4885
US-20230286925-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR WDR5, MLLT1, WDR1 HRH3 1426/4885POLB 3513/4885ALDH1A1 3209/4885

“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.