SCHEMBL3529446

SCHEMBL3529446

CC1=NN(c2ccc(F)cc2)C(=O)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.70
KMT2A Q03164 7/20 0.70
MEN1 O00255 6/20 0.70
ALDH1A1 P00352 6/20 0.70
TDP1 Q9NUW8 6/20 0.70
LMNA P02545 1/20 0.70
HTT P42858 1/20 0.70
KDM4E B2RXH2 6/20 0.69
GAA P10253 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
CYP1A2 P05177 1/20 0.69
CHRM2 P08172 1/20 0.69
CYP3A4 P08684 1/20 0.69
CHRM1 P11229 1/20 0.69
TSHR P16473 1/20 0.69
PTGS1 P23219 1/20 0.69
DRD3 P35462 1/20 0.69
RECQL P46063 1/20 0.68
APP P05067 7/20 0.66
POLB P06746 3/20 0.51

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
SCHEMBL31420004 1.00 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL2203669 0.87 MAPT (0.77) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL16900694 0.82 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL4661670 0.82 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL118345 0.82 MAPT (0.97) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL29096030 0.82 MAPT (0.59) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL4325917 0.82 MAPT (1.00) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL4257409 0.82 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1TDP1
Edaravone SCHEMBL4704 0.81 KMT2A (1.00) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL4322399 0.81 MAPT (0.65) MAPTKMT2AMEN1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025034606-A2 A CLINICALLY-TRANSLATABLE ROS/RNS MOLECULAR IMAGING AGENT USING A RADIOLABELED DERIVATIVE OF EDARAVONE (EDV) ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2025-02-13 WO disclosed
CN-118754890-A Isochroman spiro pyrazolone compound and preparation method thereof 天津科技大学 2024-10-11 CN disclosed
CN-116211850-A Application of compound in preparation of HDAC2 gene activator 温州医科大学附属第二医院(温州医科大学附属育英儿童医院) 2023-06-06 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
CN-113200993-A Synthesis method of oxindole spirodihydrofuran compound 浙江工业大学 2021-08-03 CN 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
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
EP-3666270-A1 DRUG CONTAINING PYRAZOLONE DERIVATIVE Nobelpharma Co., Ltd. (JP) 2020-06-17 EP disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 CN disclosed
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP disclosed
US-6660867-B2 Squarylium compounds having spectroscopic properties, light resistance, solubility and thermal decomposition properties suitable for a recording material for DVD-R, and optical recording media using the same KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-12-09 US disclosed
US-20030187272-A1 Metal complex type squarylium compounds and optical recording media made by using the same KYOWA HAKKO CHEMICAL CO., LTD. (FORMERLY KYOWA YUKA CO., LTD.) (JP) 2003-10-02 US disclosed
EP-1334998-A1 METAL COMPLEX TYPE SQUARYLIUM COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-08-13 EP disclosed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP disclosed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 MAPT 2507/4885KMT2A 3820/4885MEN1 4712/4885
US-20030187272-A1 Metal complex type squarylium compounds and optical recording media made by using the same DCLK2, DCLK3, DCLK1 MAPT 3668/4885KMT2A 2141/4885MEN1 1571/4885
US-20210128529-A1 DRUG CONTAINING PYRAZOLONE DERIVATIVE CYP11B2, CYP3A5, DPYD MAPT 4271/4885KMT2A 1306/4885MEN1 3967/4885

“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.