Sugi Predict

Sugi Predict / Compounds / SCHEMBL2592629

SCHEMBL2592629

SCHEMBL2592629

COCc1cc(C)[nH]c(=O)c1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 16/20 1.00
▸ KDM4E B2RXH2 14/20 1.00
▸ HPGD P15428 12/20 1.00
▸ HSD17B10 Q99714 6/20 1.00
▸ CYP1A2 P05177 1/20 0.65
▸ GLA P06280 3/20 0.51
▸ ATM Q13315 1/20 0.51
▸ GAA P10253 5/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALOX15 P16050 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ RCE1 Q9Y256 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL2587537 0.83 KDM4E (0.71) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL2586136 0.79 KDM4E (0.66) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL12498297 0.79 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL18496678 0.77 KDM4E (0.63) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
Hydrochloric Acid SCHEMBL18496649 0.76 KDM4E (0.61) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL8885364 0.76 KDM4E (0.62) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL15647458 0.75 KDM4E (0.59) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL2591527 0.74 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL1694465 0.73 KDM4E (0.62) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL20339541 0.73 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10CYP1A2

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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323820-B1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS EPIZYME INC (US) 2023-05-10 — — EP disclosed
EP-3323820-B1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS EPIZYME INC (US) 2023-05-10 — — EP disclosed
US-20200317643-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-10-08 — — US disclosed
US-20200317643-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-10-08 — — US disclosed
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2019-11-19 — — US disclosed
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2019-11-19 — — US disclosed
US-20190300502-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2019-10-03 — — US disclosed
US-20190300502-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2019-10-03 — — US disclosed
US-10273223-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2019-04-30 — — US disclosed
US-10273223-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2019-04-30 — — US disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 — — WO disclosed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 — — EP disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 — — US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 — — US disclosed
WO-2012118812-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2012-09-07 — — WO disclosed
WO-2012118812-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2012-09-07 — — WO disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 — — WO disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 — — WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 — — WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 — — WO 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 (5 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-10273223-B2 Substituted 6,5-fused bicyclic heteroaryl compounds CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 ALDH1A1 470/4885KDM4E 1279/4885HPGD 608/4885
US-20200317643-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 ALDH1A1 470/4885KDM4E 1279/4885HPGD 608/4885
US-20190300502-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 ALDH1A1 470/4885KDM4E 1279/4885HPGD 608/4885
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors EZH2, EZH1, BMI1 ALDH1A1 1092/4885KDM4E 43/4885HPGD 2177/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT ALDH1A1 45/4885KDM4E 1253/4885HPGD 403/4885

“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.