Sugi Predict

Sugi Predict / Compounds / SCHEMBL3067467

SCHEMBL3067467

SCHEMBL3067467

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.85
▸ CYP2C9 P11712 6/20 0.85
▸ HSD17B10 Q99714 6/20 0.85
▸ ALDH1A1 P00352 6/20 0.85
▸ CYP1A2 P05177 5/20 0.85
▸ CYP3A4 P08684 5/20 0.85
▸ CYP2C19 P33261 5/20 0.85
▸ ABCB11 O95342 5/20 0.85
▸ ADORA3 P0DMS8 5/20 0.85
▸ KMT2A Q03164 4/20 0.85
▸ TSHR P16473 4/20 0.85
▸ HPGD P15428 4/20 0.85
▸ SCN5A Q14524 4/20 0.85
▸ TBXA2R P21731 4/20 0.85
▸ SLC6A3 Q01959 4/20 0.85
▸ HIF1A Q16665 3/20 0.85
▸ MEN1 O00255 3/20 0.85
▸ MAPT P10636 3/20 0.85
▸ NPSR1 Q6W5P4 3/20 0.85
▸ CYP2D6 P10635 3/20 0.85

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
SCHEMBL29755877 1.00 KDM4E (0.85) KDM4ECYP2C9HSD17B10ALDH1A1CYP1A2
SCHEMBL820019 0.95 KDM4E (0.78) KDM4ECYP2C9HSD17B10ALDH1A1CYP1A2
SCHEMBL30872863 0.95 KDM4E (0.78) KDM4ECYP2C9HSD17B10ALDH1A1CYP1A2
SCHEMBL29663663 0.95 KDM4E (0.78) KDM4ECYP2C9HSD17B10ALDH1A1CYP1A2
SCHEMBL28376154 0.94 KDM4E (0.76) KDM4ECYP2C9HSD17B10ALDH1A1CYP1A2
Potassium Ion SCHEMBL7211569 0.92 KDM4E (0.74) KDM4ECYP2C9HSD17B10ALDH1A1CYP1A2
Felodipine SCHEMBL26398 0.92 CYP2C9 (1.00) KDM4ECYP2C9HSD17B10ALDH1A1CYP1A2
(R)-Felodipine SCHEMBL54486 0.92 CYP2C9 (1.00) KDM4ECYP2C9HSD17B10ALDH1A1CYP1A2
SCHEMBL7712188 0.92 KDM4E (0.74) KDM4ECYP2C9HSD17B10ALDH1A1CYP1A2
SCHEMBL14427414 0.92 KDM4E (0.74) KDM4ECYP2C9HSD17B10ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3801510-A1 METHODS FOR TREATING MUSCULAR DYSTROPHIES The Regents of the University of California (US) 2021-04-14 — — EP claimed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 — — CN claimed
CN-111097050-A Composition comprising fatty acid or derivative thereof and phenylpyridine derivative 黄泳华 2020-05-05 — — CN claimed
CN-107449834-B Method for detecting clevidipine and related substances in fat emulsion injection thereof 江苏正大丰海制药有限公司 2020-04-07 — — CN claimed
US-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-10-14 — — US claimed
CN-114712319-A Felodipine propranolol hydrochloride compound preparation and preparation method thereof 北京诺康达医药科技股份有限公司 2022-07-08 — — CN disclosed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 — — CN disclosed
CN-111097050-A Composition comprising fatty acid or derivative thereof and phenylpyridine derivative 黄泳华 2020-05-05 — — CN disclosed
CN-107449834-B Method for detecting clevidipine and related substances in fat emulsion injection thereof 江苏正大丰海制药有限公司 2020-04-07 — — CN disclosed
WO-2012065527-A1 COMPOUDS AND USES AS L-TYPE CALCIUM CHANNEL BLOCKER AND/OR ACETYLCHOLINESTERASE INHIBITOR THEREOF 江苏先声药物研究有限公司 (CN) 2012-05-24 — — WO disclosed
US-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-10-14 — — US disclosed
US-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-10-14 — — US disclosed
US-20020077328-A1 Selective cyclooxygenase-2 inhibitors and vasomodulator compounds for generalized pain and headache pain PHARMACIA CORPORATION 2002-06-20 — — US disclosed
US-5068337-A Dihydrodicarboxypyridine as anticoagulants JOHN WYETH & BROTHER LIMITED (GB) 1991-11-26 — — US disclosed
EP-0172029-B1 1,4-DIHYDROPYRIDINES JOHN WYETH & BROTHER LIMITED (GB) 1991-02-27 — — EP disclosed
EP-0232025-A2 Dihydropyridine anti-ischaemic and antihypertensive agents Pfizer Limited (GB) 1987-08-12 — — EP disclosed
EP-0200524-A2 Dihydropyridine calcium antagonists Pfizer Limited (GB) 1986-11-05 — — EP disclosed
EP-0172029-A1 1,4-Dihydropyridines JOHN WYETH & BROTHER LIMITED (GB) 1986-02-19 — — EP disclosed
US-4568681-A Antihypertensive tetrahydropyridine 3,5 dicarboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1986-02-04 — — US disclosed
US-4559350-A Antihypertensive tetrahydropyridine 3-cyano 5-carboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1985-12-17 — — 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 (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-20020077328-A1 Selective cyclooxygenase-2 inhibitors and vasomodulator compounds for generalized pain and headache pain PTGIR, VASP, TRPV2 KDM4E 2420/4885CYP2C9 447/4885HSD17B10 906/4885
US-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS NR3C2, MC2R, NR3C1 KDM4E 3139/4885CYP2C9 1508/4885HSD17B10 408/4885

“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.