Sugi Predict

Sugi Predict / Compounds / SCHEMBL2594097

SCHEMBL2594097

SCHEMBL2594097

CCc1cc(C)[nH]c(=O)c1CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.46
▸ PKM P14618 1/20 0.46
▸ GRIN2D O15399 3/20 0.41
▸ GRIN3B O60391 3/20 0.41
▸ GRIN1 Q05586 3/20 0.41
▸ GRIN2A Q12879 3/20 0.41
▸ GRIN2B Q13224 3/20 0.41
▸ GRIN2C Q14957 3/20 0.41
▸ GRIN3A Q8TCU5 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
Hydrochloric Acid SCHEMBL2591197 0.98 KDM4E (0.45) KDM4EPKMGRIN2DGRIN3BGRIN1
SCHEMBL1694684 0.87 KDM4E (0.50) KDM4EPKMALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL13280706 0.86 KDM4E (0.49) KDM4EPKMALDH1A1HPGDHSD17B10
SCHEMBL2588935 0.82 KDM4E (0.56) KDM4EPKMALDH1A1HPGDHSD17B10
SCHEMBL18526224 0.82 KDM4E (0.38) KDM4EPKMALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL18496682 0.81 KDM4E (0.37) KDM4EPKMALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL17874292 0.81 KDM4E (0.55) KDM4EPKMALDH1A1HPGDHSD17B10
SCHEMBL28377995 0.81 PARP1 (0.44) KDM4EPKMGRIN2DGRIN3BGRIN1
SCHEMBL1695218 0.80 MAPK1 (0.46) KDM4EPKMGRIN2DGRIN3BGRIN1
SCHEMBL18829942 0.79 GRIN2D (0.31) KDM4EPKMGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197202-B EZH2 covalent inhibitor and preparation method and application thereof 四川大学 2024-01-26 — — CN disclosed
CN-110903289-B Purine-aminomethyl-pyridone derivative, preparation method and application thereof 四川大学 2023-02-03 — — CN disclosed
CN-115197202-A EZH2 covalent inhibitor and preparation method and application thereof 四川大学 2022-10-18 — — CN disclosed
CN-112341390-B Compound for preparing targeted histone methyltransferase EZH2 covalent inhibitor and preparation method and application thereof 四川大学 2022-08-23 — — CN disclosed
US-11059811-B2 Benzofuran derivative, preparation method thereof and use thereof in medicine JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-07-13 — — US disclosed
US-10954219-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-03-23 — — US disclosed
US-20200354349-A1 BENZOFURAN DERIVATIVE, PREPARATION METHOD THEREOF AND USE THEREOF IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-11-12 — — US disclosed
US-10759787-B2 Benzofuran derivative, preparation method thereof and use thereof in medicine JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-09-01 — — 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-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 — — US disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 — — US disclosed
US-20130053383-A1 INDAZOLES 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-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 — — WO disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 — — WO disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 — — 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 (7 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-20200354349-A1 BENZOFURAN DERIVATIVE, PREPARATION METHOD THEREOF AND USE THEREOF IN MEDICINE EZH2, BMI1, BCL6 KDM4E 30/4885PKM 897/4885GRIN2D 3456/4885
US-10759787-B2 Benzofuran derivative, preparation method thereof and use thereof in medicine EZH2, BMI1, BCL6 KDM4E 22/4885PKM 904/4885GRIN2D 3243/4885
US-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B KDM4E 2573/4885PKM 3318/4885GRIN2D 4737/4885
US-11059811-B2 Benzofuran derivative, preparation method thereof and use thereof in medicine EZH2, BMI1, BCL6 KDM4E 30/4885PKM 897/4885GRIN2D 3456/4885
US-10954219-B2 1,3-benzodioxole derivative EZH1, EZH2, BMI1 KDM4E 21/4885PKM 2848/4885GRIN2D 969/4885
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors EZH2, EZH1, BMI1 KDM4E 43/4885PKM 1248/4885GRIN2D 2501/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT KDM4E 1253/4885PKM 3123/4885GRIN2D 4660/4885

“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.