SCHEMBL4701206

SCHEMBL4701206

COc1ccc(CCN=C=S)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 11/20 0.68
TRPA1 O75762 1/20 0.58
CYP2E1 P05181 1/20 0.58
CYP2A6 P11509 1/20 0.58
HIF1A Q16665 1/20 0.58
CYP2A13 Q16696 1/20 0.58
EPAS1 Q99814 1/20 0.58
TAAR1 Q96RJ0 1/20 0.50
AOC3 Q16853 2/20 0.46
MAOB P27338 2/20 0.46
CALM1 P0DP23 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL10566112 0.89 MIF (0.64) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL17274310 0.86 NAAA (0.63) MIFTAAR1CALM1
SCHEMBL332410 0.84 MIF (0.79) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL1845479 0.81 TAAR1 (0.50) MIFTAAR1AOC3MAOBCALM1
SCHEMBL1981190 0.81 MIF (0.49) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL354853 0.81 MIF (1.00) MIFTRPA1TAAR1IDO1
SCHEMBL20357334 0.81 MIF (0.54) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL3364900 0.79 MIF (0.66) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL8763660 0.78 MIF (0.70) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL1973945 0.77 ATM (0.54) MIFTRPA1CYP2E1CYP2A6HIF1A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112913849-A Pesticide composition containing isothiocyanate compounds and application of pesticide composition in prevention and treatment of plant diseases 兰州大学 2021-06-08 CN claimed
US-11787794-B2 Aminothiazole compounds and methods using same TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-10-17 US disclosed
CN-112913849-A Pesticide composition containing isothiocyanate compounds and application of pesticide composition in prevention and treatment of plant diseases 兰州大学 2021-06-08 CN disclosed
CN-112913849-A Pesticide composition containing isothiocyanate compounds and application of pesticide composition in prevention and treatment of plant diseases 兰州大学 2021-06-08 CN disclosed
US-20200071314-A1 Novel Aminothiazole Compounds and Methods Using Same UNIV TEMPLE (US) 2020-03-05 US disclosed
US-10513516-B2 Aminothiazole compounds and methods using same Temple University—Of the Commonwealth System of Higher Education (US) 2019-12-24 US disclosed
US-20180215750-A1 Novel Aminothiazole Compounds and Methods Using Same Temple University--of the Commonwealth System of Higher Education 2018-08-02 US disclosed
EP-3324962-A1 NOVEL AMINOTHIAZOLE COMPOUNDS AND METHODS USING SAME Temple University Of The Commonwealth System Of Higher Education (US) 2018-05-30 EP disclosed
WO-2017015484-A1 NOVEL AMINOTHIAZOLE COMPOUNDS AND METHODS USING SAME TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-01-26 WO disclosed
EP-1330451-B1 SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS ORTHO MCNEIL PHARM INC (US) 2008-01-23 EP disclosed
EP-1056732-B1 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMA (US) 2006-01-11 EP disclosed
CN-1159315-C 4, 5-pyrrolooxindoles - 2004-07-28 CN disclosed
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
CN-1330654-A 4,5-pyrrolo-oxindoles HOFFMANN LA ROCHE (DE) 2002-01-09 CN disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 WO disclosed
US-4127720-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-11-28 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-11787794-B2 Aminothiazole compounds and methods using same BRCA1, ALDH7A1, MGMT MIF 2346/4885TRPA1 1967/4885CYP2E1 440/4885
US-20200071314-A1 Novel Aminothiazole Compounds and Methods Using Same BRCA1, SHMT2, MGMT MIF 2192/4885TRPA1 1541/4885CYP2E1 2753/4885
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 MIF 3286/4885TRPA1 4812/4885CYP2E1 784/4885
US-10513516-B2 Aminothiazole compounds and methods using same BRCA1, ALDH7A1, AADAT MIF 2245/4885TRPA1 1181/4885CYP2E1 548/4885
US-20180215750-A1 Novel Aminothiazole Compounds and Methods Using Same BRCA1, SHMT2, MGMT MIF 2192/4885TRPA1 1541/4885CYP2E1 2753/4885

“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.