SCHEMBL501982

SCHEMBL501982

CN1CCN(C(N)=S)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.54
PHGDH O43175 2/20 0.54
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 2/20 0.43
DUSP3 P51452 2/20 0.43
PTPN5 P54829 2/20 0.43
PTPN11 Q06124 2/20 0.43
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2C19 P33261 1/20 0.36

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
SCHEMBL5844650 0.91 MGLL (0.47) MGLLPHGDHTDP1CYP1A2ALDH1A1
SCHEMBL4421353 0.85
SCHEMBL5997632 0.85 CA12 (0.44) MGLLPHGDHCYP1A2ALDH1A1NPSR1
Tert-Butyl Formate SCHEMBL27555938 0.78 TDP1 (0.43) MGLLPHGDHTDP1CYP1A2ALDH1A1
SCHEMBL13895251 0.74 MGLL (0.56) MGLLPHGDHTDP1CYP1A2ALDH1A1
SCHEMBL12998880 0.74 CYP1A2 (0.48) MGLLPHGDHTDP1CYP1A2ALDH1A1
SCHEMBL12781851 0.74
SCHEMBL10917792 0.74 MGLL (0.56) MGLLPHGDHTDP1CYP1A2ALDH1A1
SCHEMBL10917797 0.74 MGLL (0.56) MGLLPHGDHTDP1CYP1A2ALDH1A1
SCHEMBL2693943 0.74 MGLL (0.56) MGLLPHGDHTDP1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510413-A DCLK1 kinase inhibitor and preparation method and application thereof 杭州医学院 2024-02-06 CN claimed
US-20170166538-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-06-15 US claimed
US-12378209-B2 Protease inhibitors MEDIVIR AB (SE) 2025-08-05 US disclosed
WO-2025151517-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS ASSOCIATED WITH MISSFOLDING OF ALPHA-SYNUCLEIN PROTEIN WAVEBREAK THERAPEUTICS LIMITED (US) 2025-07-17 WO disclosed
CN-117510413-A DCLK1 kinase inhibitor and preparation method and application thereof 杭州医学院 2024-02-06 CN disclosed
US-20220332690-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2022-10-20 US disclosed
US-11312693-B2 Protease inhibitors MEDIVIR AB (SE) 2022-04-26 US disclosed
US-11312693-B2 Protease inhibitors MEDIVIR AB (SE) 2022-04-26 US disclosed
WO-2022062357-A1 MEDICINE FOR TREATING OR PREVENTING DISEASES RELATED TO ACTIVITY OF LRRK2 KINASE OR ABNORMAL LRRK2 MUTANT KINASE 广州智睿医药科技有限公司 2022-03-31 WO disclosed
US-20210017140-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2021-01-21 US disclosed
US-20210017140-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2021-01-21 US disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 WO disclosed
EP-1062212-A1 HETEROCYCLYL ANTHRACYCLINONE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-12-27 EP disclosed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO disclosed
WO-1999046253-A1 HETEROCYCLYL ANTHRACYCLINONE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1999-09-16 WO disclosed
EP-0824535-A1 ANTIBACTERIAL CEPHALOSPORINS BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1998-02-25 EP disclosed
WO-1996035692-A1 ANTIBACTERIAL CEPHALOSPORINS BIOCHEMIE GESELLSCHAFT MBH (AT) 1996-11-14 WO disclosed
US-4892879-A 1-substituted-4-(thiazolyl-2-)-piperazines, -piperidines and tetrahydro-pyridines useful as anxioltic, psychogeriatric, antisepressant and antischiziphrenic agents SANDOZ PHARM. CORP. (US) 1990-01-09 US disclosed
US-4737500-A 1-substituted-4-(thiazolyl-2-)-piperazines, -piperidines and -tetrahydropyridines useful as anxiolytic, psychogeriatric, antidepressant and antischizophrenic agents SANDOZ PHARM. CORP. (US) 1988-04-12 US disclosed
US-4064244-A ANOREXIGENIC AGENTS, ANTIMIGRAINE AGENTS SANDOZ LTD. (CH) 1977-12-20 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 (5 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-11312693-B2 Protease inhibitors CTSK, CTSF, CTSS MGLL 2431/4885PHGDH 4499/4885TDP1 3596/4885
US-12378209-B2 Protease inhibitors MMP26, CTSK, TMPRSS6 MGLL 2372/4885PHGDH 4423/4885TDP1 3526/4885
US-20210017140-A1 PROTEASE INHIBITORS CTSK, CTSF, CTSS MGLL 2431/4885PHGDH 4499/4885TDP1 3596/4885
US-20170166538-A1 PROTEASE INHIBITORS MMP8, CTSK, CTSS MGLL 2162/4885PHGDH 4484/4885TDP1 3392/4885
US-20220332690-A1 PROTEASE INHIBITORS MMP26, CTSK, TMPRSS6 MGLL 2372/4885PHGDH 4423/4885TDP1 3526/4885

“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.