SCHEMBL4201985

SCHEMBL4201985

N#Cc1cc(-c2ccsc2)cc(-c2ccsc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.50
CYP2B6 P20813 3/20 0.45
CYP2E1 P05181 2/20 0.45
KCNH2 Q12809 1/20 0.42
PRMT6 Q96LA8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2A P29274 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ERN1 O75460 2/20 0.37
ACMSD Q8TDX5 1/20 0.36
PTPRC P08575 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
GLO1 Q04760 1/20 0.36
CHEK2 O96017 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL28312712 0.89 CYP2A6 (0.44) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL4201635 0.87 CYP2A6 (0.49) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL16398488 0.83 RXRA (0.50) CYP2A6CYP2B6CYP2E1KCNH2ERN1
SCHEMBL13210269 0.82 CYP2A6 (0.50) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL6013341 0.81 CYP2A6 (0.52) CYP2A6CYP2B6CYP2E1KCNH2ALDH1A1
SCHEMBL2989441 0.80 CYP2A6 (0.71) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL2125063 0.74 CYP2A6 (0.72) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL154729 0.72
SCHEMBL28984283 0.72 KCNH2 (0.48) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
Ethyne SCHEMBL28907752 0.71 TTR (0.40) CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473669-B2 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC (US) 2009-01-06 US disclosed
US-7473669-B2 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC (US) 2009-01-06 US disclosed
US-7473669-B2 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC (US) 2009-01-06 US disclosed
EP-1881966-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2008-01-30 EP disclosed
WO-2006119400-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2006-11-09 WO disclosed
US-20060252755-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC 2006-11-09 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 (1 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-20060252755-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DDT, CYP4B1, CYP4X1 CYP2A6 21/4885CYP2B6 10/4885CYP2E1 40/4885

“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.