SCHEMBL4223371

SCHEMBL4223371

CCCCn1nc(C)ncc1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.39
NR1H3 Q13133 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MPO P05164 2/20 0.36
HSF1 Q00613 4/20 0.35

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
SCHEMBL10044416 0.73 PTGS2 (0.43) NR1H3ALDH1A1MPOHSF1
SCHEMBL6134029 0.68 HSD17B10 (0.42) NR1H3ALDH1A1
SCHEMBL10044414 0.68 HSD17B10 (0.39) NR1H3ALDH1A1POLBKMT2AMPO
SCHEMBL12519609 0.67 NR1H3 (0.42) NR1H3ALDH1A1POLBKMT2AMPO
SCHEMBL2936034 0.66 ALDH1A1 (0.41) TOP2ANR1H3ALDH1A1POLBKMT2A
SCHEMBL7803958 0.65 HSD17B10 (0.45) NR1H3ALDH1A1KMT2A
SCHEMBL10284719 0.64 NR1H3 (0.40) NR1H3KMT2AMPO
SCHEMBL8859418 0.63 HSD17B10 (0.44) ALDH1A1
SCHEMBL18770684 0.63 KAT2B (0.42) ALDH1A1
SCHEMBL13236896 0.63 TOP2A (0.38) TOP2ANR1H3ALDH1A1MPOHSF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494996-B2 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2009-02-24 US disclosed
EP-1337150-A4 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2007-09-26 EP disclosed
US-20040242580-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides KELLY MARTHA JEAN (US) 2004-12-02 US disclosed
EP-1337150-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES Dow AgroSciences LLC (US) 2003-08-27 EP disclosed
WO-2002067675-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2002-09-06 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 (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-20040242580-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides DDT, CYP4B1, CYP4X1 TOP2A 551/4885NR1H3 2586/4885ALDH1A1 255/4885

“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.