SCHEMBL1695218

SCHEMBL1695218

Cc1cc(C)c(CN)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.40
EZH2 Q15910 7/20 0.39
EED O75530 1/20 0.39
RBBP4 Q09028 1/20 0.39
SUZ12 Q15022 1/20 0.39
AEBP2 Q6ZN18 1/20 0.39
PARP1 P09874 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 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
Hydrochloric Acid SCHEMBL1694763 0.98 MAPK1 (0.44) MAPK1KDM4EPKMALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL22470860 0.85 ALDH1A1 (0.41) MAPK1KDM4EPKMALDH1A1KMT2A
SCHEMBL17584937 0.81 KDM4E (0.50) MAPK1KDM4EPKMALDH1A1KMT2A
SCHEMBL16493428 0.80 KDM4E (0.42) MAPK1KDM4EPKMALDH1A1KMT2A
SCHEMBL2594097 0.80 KDM4E (0.46) MAPK1KDM4EPKMALDH1A1KMT2A
SCHEMBL10749671 0.79 KDM4E (0.49) MAPK1KDM4EPKMALDH1A1KMT2A
Hydrochloric Acid SCHEMBL21489626 0.79 KDM4E (0.41) MAPK1KDM4EPKMALDH1A1KMT2A
SCHEMBL1695049 0.79 PARP1 (0.42) KDM4EPKMALDH1A1EZH2PARP1
Hydrochloric Acid SCHEMBL2591197 0.79 KDM4E (0.45) MAPK1KDM4EPKMALDH1A1KMT2A
SCHEMBL21489621 0.77 KDM4E (0.40) MAPK1KDM4EPKMGAAEZH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406041-A Tazemetostat synthesis method 沈阳药科大学 2024-07-30 CN claimed
CN-118388399-A N- ((4, 6-dimethyl-2-oxo-1, 2-dihydropyridine-3-yl) methyl) benzamide compound and preparation method and application thereof 承德医学院 2024-07-26 CN claimed
CN-118222101-A Hydrogen bond enhanced graphene composite shape memory polymer and preparation method and application thereof 中国科学院兰州化学物理研究所 2024-06-21 CN claimed
CN-118055928-A Preparation method of benzofuran derivative 江苏恒瑞医药股份有限公司 2024-05-17 CN claimed
CN-117069696-B Double-target small molecule inhibitor and preparation method and application thereof 中国药科大学 2024-04-26 CN claimed
CN-116768857-A EZH2/HDAC double-target inhibitor and preparation method and medical application thereof 中国药科大学 2023-09-19 CN claimed
CN-116655612-A Synthetic method and application of EZH2 inhibitor 王亚男 2023-08-29 CN claimed
CN-116655619-A 2H-indazole compound and preparation method and application thereof 南京康立凯医药科技有限公司 2023-08-29 CN claimed
US-20230257368-A1 METHOD FOR PRODUCING 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-08-17 US claimed
CN-111094279-B Preparation method of benzofuran derivative 江苏恒瑞医药股份有限公司 2023-06-16 CN claimed
EP-4180426-A1 METHOD FOR PRODUCING 1,3-BENZODIOXOLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2023-05-17 EP claimed
CN-116018335-A Process for preparing 1, 3-benzodioxole derivatives 第一三共株式会社 2023-04-25 CN claimed
CN-114409636-B Quinazolinone compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 沈阳药科大学 2023-04-18 CN claimed
CN-113767096-B Preparation method of 6-substituted aminobenzofuran compound 江苏恒瑞医药股份有限公司 2022-11-22 CN claimed
CN-114456156-A Purification method of 6-substituted aminobenzofuran compound 江苏恒瑞医药股份有限公司 2022-05-10 CN claimed
CN-113767096-A Preparation method of 6-substituted aminobenzofuran compound 江苏恒瑞医药股份有限公司 2021-12-07 CN claimed
CN-111094279-A Preparation method of benzofuran derivative 江苏恒瑞医药股份有限公司 2020-05-01 CN claimed
EP-4709721-A1 DUAL EZH2-HSP90 INHIBITORS Taipei Medical University (TW) 2026-03-18 EP disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140325-A1 INDAZOLES 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 (1 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-20230257368-A1 METHOD FOR PRODUCING 1,3-BENZODIOXOLE DERIVATIVE BBOX1, CBR3, CBR1 MAPK1 4251/4885KDM4E 2453/4885PKM 4066/4885

“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.