SCHEMBL125079

SCHEMBL125079

CC1=NN(c2cccc(C)c2)C(=O)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.74
KMT2A Q03164 6/20 0.74
KDM4E B2RXH2 5/20 0.74
GAA P10253 3/20 0.74
MEN1 O00255 5/20 0.70
ALDH1A1 P00352 5/20 0.70
TDP1 Q9NUW8 4/20 0.70
CYP1A2 P05177 1/20 0.70
CHRM2 P08172 1/20 0.70
CYP3A4 P08684 1/20 0.70
CHRM1 P11229 1/20 0.70
TSHR P16473 1/20 0.70
PTGS1 P23219 1/20 0.70
DRD3 P35462 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
APP P05067 7/20 0.68
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
LMNA P02545 1/20 0.57

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
SCHEMBL12756285 0.91 MAPT (0.81) MAPTKMT2AKDM4EGAAMEN1
SCHEMBL1260486 0.85 MAPT (1.00) MAPTKMT2AKDM4EGAAMEN1
SCHEMBL4338954 0.84 MAPT (0.65) MAPTKMT2AKDM4EGAAMEN1
SCHEMBL1854311 0.84 MAPT (0.70) MAPTKMT2AKDM4EGAAMEN1
SCHEMBL4338431 0.84 MAPT (0.70) MAPTKMT2AKDM4EGAAMEN1
SCHEMBL11858486 0.84 KMT2A (0.70) MAPTKMT2AKDM4EGAAMEN1
SCHEMBL4662959 0.84 MAPT (0.70) MAPTKMT2AKDM4EGAAMEN1
Hydrochloric Acid SCHEMBL21597225 0.83 MAPT (0.68) MAPTKMT2AKDM4EGAAMEN1
SCHEMBL4662941 0.83 MAPT (0.68) MAPTKMT2AKDM4EGAAMEN1
Edaravone SCHEMBL4704 0.82 KMT2A (1.00) MAPTKMT2AKDM4EGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348694-A1 SHELF LIFE- AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2023-11-02 US disclosed
US-20230348694-A1 SHELF LIFE- AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2023-11-02 US disclosed
US-20230348694-A1 SHELF LIFE- AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2023-11-02 US disclosed
CN-114920753-B 6-fluoro-dihydropyran [2,3-c ] pyrazole derivative and synthetic method and application thereof 华南理工大学 2023-06-20 CN disclosed
CN-114920753-A 6-fluoro-dihydropyrano [2,3-c ] pyrazole derivative and synthetic method and application thereof 华南理工大学 2022-08-19 CN disclosed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
US-20210128529-A1 DRUG CONTAINING PYRAZOLONE DERIVATIVE NOBELPHARMA CO., LTD. (JP) 2021-05-06 US disclosed
CN-112118839-A Pyrazolone derivative-containing drug 耐贝医药株式会社 2020-12-22 CN disclosed
EP-3666270-A1 DRUG CONTAINING PYRAZOLONE DERIVATIVE Nobelpharma Co., Ltd. (JP) 2020-06-17 EP disclosed
US-20030082330-A1 Squarylium compounds and optical recording medium containing the same KYOWA HAKKO CHEMICAL CO., LTD. (FORMERLY KYOWA YUKA CO., LTD.) (JP) 2003-05-01 US disclosed
EP-1152001-A9 SQUARYLIUM COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-02-27 EP disclosed
EP-1152001-A1 SQUARYLIUM COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-11-07 EP disclosed
US-RE35801-E PYRAZOLONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1998-05-19 US disclosed
EP-0208874-B1 PROPHYLACTIC AND THERAPEUTIC AGENT FOR CIRCULATORY DISORDERS MITSUBISHI KASEI CORPORATION (JP) 1993-03-24 EP disclosed
EP-0138749-B1 PROCESS FOR MASS DYEING SYNTHETIC POLYAMIDES CIBA-GEIGY AG (CH) 1989-08-23 EP disclosed
US-4857542-A INHIBITOR AGAINST LIPID PEROXIDATION MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1989-08-15 US disclosed
EP-0208874-A1 Prophylactic and therapeutic agent for circulatory disorders MITSUBISHI KASEI CORPORATION (JP) 1987-01-21 EP disclosed
US-4527994-A Process for mass-coloring nylon with 1:2 chromium complex azo dye CIBA-GEIGY CORPORATION (US) 1985-07-09 US disclosed
EP-0138749-A2 Process for mass dyeing synthetic polyamides CIBA-GEIGY AG (CH) 1985-04-24 EP 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-20210128529-A1 DRUG CONTAINING PYRAZOLONE DERIVATIVE CYP11B2, CYP3A5, DPYD MAPT 4271/4885KMT2A 1306/4885KDM4E 694/4885

“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.