SCHEMBL4196340

SCHEMBL4196340

[C](=N/OCc1ccccc1)\c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ IDO1 P14902 1/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MAOB P27338 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ AGXT P21549 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL4196342 1.00 TSHR (0.44) TSHRIDO1RAB9ASMN1; SMN2NPC1
SCHEMBL17219268 1.00 TSHR (0.44) TSHRIDO1RAB9ASMN1; SMN2NPC1
SCHEMBL17217275 0.89 IDO1 (0.48) TSHRIDO1RAB9ASMN1; SMN2NPC1
SCHEMBL17217277 0.89 IDO1 (0.48) TSHRIDO1RAB9ASMN1; SMN2NPC1
SCHEMBL17216577 0.87 NPC1 (0.40) TSHRIDO1RAB9ASMN1; SMN2NPC1
SCHEMBL17218407 0.87 IDO1 (0.41) IDO1RAB9ASMN1; SMN2NPC1MAOB
SCHEMBL17219514 0.87 AGXT (0.41) RAB9ASMN1; SMN2NPC1MAOBGAA
SCHEMBL17219532 0.87 IDO1 (0.41) IDO1RAB9ASMN1; SMN2NPC1MAOB
SCHEMBL17217173 0.87 KMT2A (0.40) TSHRIDO1RAB9ASMN1; SMN2NPC1
SCHEMBL17219256 0.87 MAOB (0.59) TSHRRAB9ASMN1; SMN2NPC1MAOB

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 4 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
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 TSHR 2712/4885IDO1 708/4885RAB9A 3136/4885

“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.

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