SCHEMBL853994

SCHEMBL853994

CC1=NN(C2CCCCC2)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
CES2 O00748 2/20 0.40
ALDH1A1 P00352 8/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 4/20 0.37
TSHR P16473 3/20 0.37
KDM4E B2RXH2 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
THRB P10828 2/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.34

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
SCHEMBL855206 1.00 GAA (0.46) GAATDP1CES2ALDH1A1MEN1
SCHEMBL853230 0.98 GAA (0.42) GAATDP1CES2ALDH1A1MEN1
SCHEMBL5234963 0.83 GAA (0.40) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL854998 0.81 GAA (0.39) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL853966 0.81 GAA (0.36) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL4859801 0.79 TDP1 (0.37) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL7400810 0.73 ALDH1A1 (0.36) GAACES2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31327082 0.73 GAA (0.38) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL16050086 0.69 GAA (0.49) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL24517944 0.65 CES2 (0.35) CES2ALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234020-A1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORP. 2005-10-20 US claimed
EP-1556059-A1 THROMBOPOIETIN MIMETICS Smithkline Beecham (US) 2005-07-27 EP claimed
WO-2003103686-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 WO claimed
US-RE35801-E PYRAZOLONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1998-05-19 US claimed
EP-0208874-B1 PROPHYLACTIC AND THERAPEUTIC AGENT FOR CIRCULATORY DISORDERS MITSUBISHI KASEI CORPORATION (JP) 1993-03-24 EP claimed
US-4857542-A INHIBITOR AGAINST LIPID PEROXIDATION MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1989-08-15 US claimed
EP-0208874-A1 Prophylactic and therapeutic agent for circulatory disorders MITSUBISHI KASEI CORPORATION (JP) 1987-01-21 EP claimed
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
EP-1454897-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7−INHIBITORY ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-09-08 EP disclosed
EP-1437137-A1 DRUGS COMPRISING COMBINATION OF ANTITHROMBOTIC AGENT WITH PYRAZOLONE DERIVATIVE Mitsubishi Pharma Corporation (JP) 2004-07-14 EP disclosed
WO-2003103686-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 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-20050234020-A1 Thrombopoietin mimetics MPL, THPO, TEK GAA 2853/4885TDP1 2922/4885CES2 4794/4885
US-20210128529-A1 DRUG CONTAINING PYRAZOLONE DERIVATIVE CYP11B2, CYP3A5, DPYD GAA 3532/4885TDP1 342/4885CES2 2886/4885
US-10004720-B2 Agent for preventing and/or treating ophthalmologic diseases MITF, EYA3, AQP1 GAA 2572/4885TDP1 2439/4885CES2 4863/4885

“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.