SCHEMBL361444

SCHEMBL361444

CC(=O)Oc1cnc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
F2 P00734 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
SCN9A Q15858 3/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MEN1 O00255 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL6583226 0.84 GLA (0.46) ALDH1A1F2GLAHPGDLMNA
SCHEMBL2482133 0.82 ALDH1A1 (0.49) ALDH1A1F2GLAHPGDLMNA
SCHEMBL6666490 0.81 MEN1 (0.42) SCN9ATDP1KMT2ACHRNB2CHRNA4
SCHEMBL27781103 0.81 ALDH1A1 (0.51) ALDH1A1F2GLAHPGDMAPK1
SCHEMBL27885517 0.77 ALDH1A1 (0.41) ALDH1A1F2GLAHPGDMAPK1
SCHEMBL21612934 0.76 ALDH1A1 (0.45) ALDH1A1F2GLAHPGDLMNA
SCHEMBL31612524 0.74 LMNA (0.48) ALDH1A1GLAHPGDMAPK1LMNA
SCHEMBL5942319 0.74 CHRNB2 (0.41) ALDH1A1CHRNB2CHRNA4
SCHEMBL1887370 0.72 ALDH1A1 (0.49) ALDH1A1F2GLAHPGDLMNA
SCHEMBL11513704 0.72 GLA (0.49) ALDH1A1F2GLAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230284-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-15 EP disclosed
US-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-04 US disclosed
US-10253042-B2 N-(2-(2-amino-6-substituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]oxazin-8a(8H)-YL)-thiazol-4-YL) amides PFIZER INC. (US) 2019-04-09 US disclosed
US-10253042-B2 N-(2-(2-amino-6-substituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]oxazin-8a(8H)-YL)-thiazol-4-YL) amides PFIZER INC. (US) 2019-04-09 US disclosed
US-10112958-B2 N-[2-(2-amino-6,6-disubstituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-YL)-1,3-thiazol-4-YL] amides PFIZER INC. (US) 2018-10-30 US disclosed
EP-3353174-A1 N-[2-(3-AMINO-2,5-DIMETHYL-1,1-DIOXIDO-5,6-DIHYDRO-2H-1,2,4-THIADIAZIN-5-YL)-1,3-THIAZOL-4-YL]AMIDES USEFUL AS BACE INHIBITORS Pfizer Inc (US) 2018-08-01 EP disclosed
EP-3353182-A1 TETRAHYDROPYRANO[3,4-D][1,3]OXAZIN DERIVATIVES AND THEIR USE AS BACE INHIBITORS Pfizer Inc (US) 2018-08-01 EP disclosed
EP-3353183-A1 N-[2-(2-AMINO-6,6-DISUBSTITUTED-4, 4A, 5, 6-TETRAHYDROPYRANO [3,4-D][1,3]THIAZIN-8A (8H)-YL) -1, 3-THIAZOL-4-YL]AMIDES Pfizer Inc (US) 2018-08-01 EP disclosed
US-20170369506-A1 N-(2-(2-AMINO-6-SUBSTITUTED-4,4a,5,6-TETRAHYDROPYRANO[3,4-d][1,3]OXAZIN-8a(8H)-YL)-THIAZOL-4-YL) AMIDES PFIZER INC. (US) 2017-12-28 US disclosed
US-20170369506-A1 N-(2-(2-AMINO-6-SUBSTITUTED-4,4a,5,6-TETRAHYDROPYRANO[3,4-d][1,3]OXAZIN-8a(8H)-YL)-THIAZOL-4-YL) AMIDES PFIZER INC. (US) 2017-12-28 US disclosed
EP-1140847-B1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AG (DE) 2002-12-18 EP disclosed
EP-0950057-B1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LAB (US) 2002-11-13 EP disclosed
US-6432880-B1 APPLYING TO PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
US-6403575-B1 ANTI-INFLAMMATORIES ABBOTT LABORATORIES 2002-06-11 US disclosed
CN-1336918-A Substituted 2-phenylpyridines as herbicides BASF AG (DE) 2002-02-20 CN disclosed
EP-1140847-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-10-10 EP disclosed
US-6133253-A NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES ABBOTT LABORATORIES (US) 2000-10-17 US disclosed
WO-2000042015-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed
US-4756739-A Herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
EP-0227047-A2 Pyridine derivatives and their N-oxides, process for their preparation and their use as intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-01 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 (4 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-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, ACHE ALDH1A1 961/4885F2 1179/4885GLA 4108/4885
US-20170369506-A1 N-(2-(2-AMINO-6-SUBSTITUTED-4,4a,5,6-TETRAHYDROPYRANO[3,4-d][1,3]OXAZIN-8a(8H)-YL)-THIAZOL-4-YL) AMIDES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, NPY4R ALDH1A1 374/4885F2 251/4885GLA 2624/4885
US-10112958-B2 N-[2-(2-amino-6,6-disubstituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-YL)-1,3-thiazol-4-YL] amides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A8, TBXA2R ALDH1A1 304/4885F2 236/4885GLA 3411/4885
US-10253042-B2 N-(2-(2-amino-6-substituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]oxazin-8a(8H)-YL)-thiazol-4-YL) amides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, NPY4R ALDH1A1 374/4885F2 251/4885GLA 2624/4885

“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.