SCHEMBL4664754

SCHEMBL4664754

CCCCN1N=C(C)CC1=O

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.89
ALDH1A1 P00352 6/20 0.89
MAPT P10636 6/20 0.89
THRB P10828 2/20 0.89
TDP1 Q9NUW8 5/20 0.41
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
KDM4E B2RXH2 5/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM1 P11229 1/20 0.37
PTGS1 P23219 1/20 0.37
DRD3 P35462 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2365151 0.94 ALDH1A1 (1.00) GAAALDH1A1MAPTTHRBTDP1
SCHEMBL9153141 0.93 GAA (0.96) GAAALDH1A1MAPTTHRBTDP1
SCHEMBL15884557 0.87 ALDH1A1 (0.73) GAAALDH1A1MAPTTHRBTDP1
SCHEMBL28979898 0.83 GAA (0.64) GAAALDH1A1MAPTTHRBKDM4E
SCHEMBL17247571 0.81 GAA (0.61) GAAALDH1A1MAPTTHRBTDP1
SCHEMBL310102 0.79
SCHEMBL9069384 0.79 GAA (0.68) GAAALDH1A1MAPTTHRBTDP1
SCHEMBL4664749 0.78 GAA (0.62) GAAALDH1A1MAPTTHRBTDP1
SCHEMBL17247577 0.78 GAA (0.57) GAAALDH1A1MAPTTHRBKDM4E
SCHEMBL17522568 0.76 ALDH1A1 (0.59) GAAALDH1A1MAPTTHRBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1793821-B1 PYRAZOLONE COMPOUNDS FOR TREATING CEREBROVASCULAR DISORDERS MITSUBISHI TANABE PHARMA CORP (JP) 2018-10-31 EP disclosed
US-10004720-B2 Agent for preventing and/or treating ophthalmologic diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-06-26 US disclosed
EP-3321255-A1 NOVEL THERAPEUTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS (ALS) OR DISEASE ATTRIBUTABLE TO ALS Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-20170273949-A1 AGENT FOR PREVENTING AND/OR TREATING OPHTHALMOLOGIC DISEASES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-09-28 US disclosed
US-9259416-B2 Pyrazolone compounds useful for treatment of cerebrovascular disorders associated with ischemic stroke MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-02-16 US disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 US disclosed
WO-2006016707-A2 PYRAZOLONE COMPOUNDS FOR TREATING CEREBROVASCULAR DISORDERS MITSUBISHI PHARMA CORPORATION (JP) 2006-02-16 WO disclosed
EP-1582517-A1 BLOOD-BRAIN BARRIER DISRUPTION INHIBITORS Mitsubishi Pharma Corporation (JP) 2005-10-05 EP disclosed
EP-1553087-A1 PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR INFLAMMATORY INTESTINAL DISEASES Mitsubishi Pharma Corporation (JP) 2005-07-13 EP disclosed
US-20050009896-A1 Particularly 3-methyl-1-phenyl-2-pyrazolin-5-one; thrombolytic agent, an anticoagulant and/or a platelet aggregation inhibitory agent such as a thromboxane synthetase inhibitor; for treating and/or preventing ischemic diseases which are safe and have few side effects MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-01-13 US disclosed
US-20040254234-A1 Medicament for prevention and/or therapy of arterial wall disorder MITSUBISHI PHARMA CORPORATION (JP) 2004-12-16 US disclosed
EP-1437137-A1 DRUGS COMPRISING COMBINATION OF ANTITHROMBOTIC AGENT WITH PYRAZOLONE DERIVATIVE Mitsubishi Pharma Corporation (JP) 2004-07-14 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
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 (6 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-20170273949-A1 AGENT FOR PREVENTING AND/OR TREATING OPHTHALMOLOGIC DISEASES MITF, EYA3, AQP1 GAA 2572/4885ALDH1A1 344/4885MAPT 2342/4885
US-20040254234-A1 Medicament for prevention and/or therapy of arterial wall disorder ADRB3, TNNI3, AGTR1 GAA 2810/4885ALDH1A1 662/4885MAPT 4769/4885
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF NPM1, NAP1L1, REN GAA 4057/4885ALDH1A1 1595/4885MAPT 3508/4885
US-20050009896-A1 Particularly 3-methyl-1-phenyl-2-pyrazolin-5-one; thrombolytic agent, an anticoagulant and/or a platelet aggregation inhibitory agent such as a thromboxane synthetase inhibitor; for treating and/or preventing ischemic diseases which are safe and have few side effects PLAT, PTGIS, SERPINC1 GAA 2703/4885ALDH1A1 288/4885MAPT 4680/4885
US-20210128529-A1 DRUG CONTAINING PYRAZOLONE DERIVATIVE CYP11B2, CYP3A5, DPYD GAA 3532/4885ALDH1A1 285/4885MAPT 4271/4885
US-10004720-B2 Agent for preventing and/or treating ophthalmologic diseases MITF, EYA3, AQP1 GAA 2572/4885ALDH1A1 344/4885MAPT 2342/4885

“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.