SCHEMBL3687239

SCHEMBL3687239

C=Cc1csc(C2CCNCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AOC3 Q16853 1/20 0.38
BAZ2A Q9UIF9 2/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HRH4 Q9H3N8 1/20 0.33
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
PLG P00747 1/20 0.30

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
SCHEMBL491234 0.83 HPGDS (0.44) HPGDSMEN1KMT2AAOC3BAZ2A
Hydrochloric Acid SCHEMBL15717196 0.82 HPGDS (0.43) HPGDSMEN1KMT2AAOC3BAZ2A
Hydrochloric Acid SCHEMBL29756 0.82 HPGDS (0.43) HPGDSMEN1KMT2AAOC3BAZ2A
SCHEMBL23378641 0.78 HPGDS (0.40) HPGDSMEN1KMT2AAOC3BAZ2A
SCHEMBL27828630 0.76 HPGDS (0.50) HPGDSMEN1KMT2AAOC3NPC1
SCHEMBL20542395 0.74 ALDH1A1 (0.32)
SCHEMBL5458440 0.74 HPGDS (0.47) HPGDSMEN1KMT2AAOC3BAZ2A
SCHEMBL1042507 0.74 HPGDS (0.47) HPGDSMEN1KMT2AAOC3BAZ2A
SCHEMBL2070496 0.73 HPGDS (0.44) HPGDSMEN1KMT2AAOC3BAZ2A
Trifluoroacetic Acid SCHEMBL18978992 0.73 AOC3 (0.42) HPGDSMEN1KMT2AAOC3BAZ2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106986866-B Fungicidal azacyclic amides 杜邦公司 2020-03-03 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
CN-104663674-B Fungicide compound and mixture 杜邦公司 2017-11-03 CN disclosed
EP-3239145-A1 1-[2-[3,5-SUBSTITUTED-1H-PYRAZOL-1-YL]ACETYL]-4-PIPERIDINE-CARBONITRILE AND -CARBOTHIAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 EP disclosed
EP-3239137-A1 (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 E. I. du Pont de Nemours and Company (US) 2017-11-01 EP disclosed
CN-107021962-A Fungicidal azocyclic amides 杜邦公司 2017-08-08 CN disclosed
CN-106986866-A Fungicidal azocyclic amides 杜邦公司 2017-07-28 CN disclosed
EP-2187748-B1 FUNGICIDAL COMPOUNDS AND MIXTURES DU PONT (US) 2017-07-05 EP disclosed
EP-2049111-B1 1-(acetyl)-piperidine and 1-(acetyl)-piperazine derivatives as fungicides for use in plant protection DU PONT (US) 2017-05-24 EP disclosed
CN-102816148-A Fungicidal azocyclic amides DU PONT 2012-12-12 CN disclosed
CN-101969781-A Fungicidal compounds and mixtures DU PONT 2011-02-09 CN disclosed
CN-101888843-A Fungicidal azacyclic amides DU PONT 2010-11-17 CN disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 US disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO disclosed
EP-2049111-A2 FUNGICIDAL AZOCYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-22 EP disclosed
WO-2008013925-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 WO disclosed
WO-2008013622-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 WO 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-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 HPGDS 4132/4885MEN1 2411/4885KMT2A 2074/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 HPGDS 4544/4885MEN1 682/4885KMT2A 207/4885

“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.