SCHEMBL28224945

SCHEMBL28224945

FC(F)(F)c1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.52
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ENPP1 P22413 2/20 0.49
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PPARD Q03181 1/20 0.45
ENPP3 O14638 1/20 0.45
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
BACE1 P56817 1/20 0.43
TNKS O95271 1/20 0.43
WNT3A P56704 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43

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
SCHEMBL21888054 0.92 HDAC8 (0.45) KIF11HDAC8HDAC6ENPP1CA12
SCHEMBL26547938 0.90 CA12 (0.48) KIF11HDAC8HDAC6ENPP1CA12
SCHEMBL26548383 0.90 CA12 (0.48) KIF11HDAC8HDAC6ENPP1CA12
SCHEMBL26548876 0.89 CA12 (0.47) KIF11HDAC8HDAC6ENPP1CA12
SCHEMBL26548564 0.89 CA12 (0.47) KIF11HDAC8HDAC6ENPP1CA12
SCHEMBL22992967 0.86 SCN5A (0.42) KIF11HDAC8HDAC6ENPP1CA12
SCHEMBL22978409 0.86 KIF11 (0.46) KIF11HDAC8HDAC6ENPP1CA12
SCHEMBL13298650 0.84 KIF11 (0.48) KIF11HDAC8HDAC6ENPP1CA12
SCHEMBL24336313 0.84 HDAC8 (0.47) HDAC8HDAC6ENPP1CA12CA1
SCHEMBL27525626 0.84 KIF11 (0.47) KIF11ENPP1CYP2C9CYP2C19SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866431-B2 Bicyclic compounds VIVACE THERAPEUTICS, INC. (US) 2024-01-09 US disclosed
US-20230061429-A1 BICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2023-03-02 US disclosed
CN-108271370-A As P2Y14Triazole derivatives as receptor antagonists (由卫生与公众服务部部长代表的)美利坚合众国 2018-07-10 CN disclosed
CN-108148055-A A kind of D- π-A types organic fluorescence materials and preparation method based on naphthalene 陕西师范大学 2018-06-12 CN 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-11866431-B2 Bicyclic compounds YAP1, MYC, TEAD2 KIF11 2038/4885HDAC8 161/4885HDAC6 276/4885
US-20230061429-A1 BICYCLIC COMPOUNDS YAP1, MYC, TEAD2 KIF11 2038/4885HDAC8 161/4885HDAC6 276/4885

“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.