SCHEMBL5454877

SCHEMBL5454877

CN1C(=O)c2ccccc2C1=S

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.59
▸ NR1H3 Q13133 5/20 0.47
▸ NR1H2 P55055 3/20 0.47
▸ DPP4 P27487 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ APP P05067 1/20 0.46
▸ CYP1A2 P05177 1/20 0.42
▸ GLS O94925 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL29511191 0.83 CASP3 (0.81) CASP3NR1H3NR1H2TTRCES1
SCHEMBL12269703 0.83 CASP3 (0.41) CASP3NR1H3NR1H2DPP4TTR
SCHEMBL28263 0.83 CASP3 (0.81) CASP3NR1H3NR1H2TTRCES1
Water SCHEMBL9398503 0.80 CASP3 (0.77) CASP3NR1H3NR1H2TTRCES1
Hydrogen Sulfide SCHEMBL11098631 0.80 CASP3 (0.77) CASP3TTRCES1APPCYP1A2
Hydrochloric Acid SCHEMBL7736926 0.80 CASP3 (0.77) CASP3NR1H3NR1H2TTRCES1
Iodide SCHEMBL30725965 0.80 CASP3 (0.77) CASP3NR1H3NR1H2TTRCES1
Hydrogen Sulfide SCHEMBL11121709 0.80 CASP3 (0.77) CASP3TTRCES1APPCYP1A2
SCHEMBL29025703 0.80 CASP3 (0.77) CASP3NR1H3NR1H2TTRCES1
SCHEMBL7616755 0.76 CASP3 (0.63) CASP3NR1H3NR1H2TTRCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808012-A Synthesis of folpet 扬州市荣晶工业助剂有限公司 2020-10-23 — — CN claimed
CN-111393353-A Synthesis method of N-methylthio phthalimide 仪征市海帆化工有限公司 2020-07-10 — — CN claimed
EP-3957633-A1 A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2022-02-23 — — EP disclosed
CN-111808012-A Synthesis of folpet 扬州市荣晶工业助剂有限公司 2020-10-23 — — CN disclosed
CN-111808012-A Synthesis of folpet 扬州市荣晶工业助剂有限公司 2020-10-23 — — CN disclosed
CN-111393353-A Synthesis method of N-methylthio phthalimide 仪征市海帆化工有限公司 2020-07-10 — — CN disclosed
CN-111393353-A Synthesis method of N-methylthio phthalimide 仪征市海帆化工有限公司 2020-07-10 — — CN disclosed
CN-111393353-A Synthesis method of N-methylthio phthalimide 仪征市海帆化工有限公司 2020-07-10 — — CN disclosed
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 — — EP disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 — — US disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 — — US disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 — — US disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 — — US disclosed
US-20070190160-A1 Nanoparticles for drug-delivery UNIVERSITY OF SOUTH FLORIDA 2007-08-16 — — US disclosed
WO-2005020933-A2 NANOPARTICLES FOR DRUG-DELIVERY UNIVERSITY OF SOUTH FLORIDA (US) 2005-03-10 — — WO disclosed
WO-1998046683-A1 COATING COMPOSITIONS COMPRISING BUSOXINONE JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-22 — — WO disclosed
EP-0337815-A1 1-dimethylcarbamoyl-3-substituted-5-substituted-1H-1,2,4-triazoles SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-10-18 — — EP disclosed
US-4532258-A Controlling insects, mites, pests KURARAY CO., LTD. (JP) 1985-07-30 — — US disclosed
US-4390547-A 2,2-Dimethyl-3-(substituted ethyl)cyclopropane carboxylate pesticidal compositions and methods KURARAY CO., LTD. (JP) 1983-06-28 — — US disclosed
US-4299839-A Novel pesticides and pesticidal compositions cyclopropanecarboxylates and pesticidal method KURARAY CO., LTD. (JP) 1981-11-10 — — 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 (2 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-20070190160-A1 Nanoparticles for drug-delivery EPCAM, TUBB1, ACTB CASP3 593/4885NR1H3 2397/4885NR1H2 3026/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 CASP3 367/4885NR1H3 2352/4885NR1H2 1910/4885

“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.

Send feedback