SCHEMBL4624667

SCHEMBL4624667

O=C1NCC(c2ccc(Cl)cc2)NN1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.45
SLC6A2 P23975 9/20 0.45
SLC6A4 P31645 3/20 0.45
HTR3A P46098 1/20 0.37
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
LIG1 P18858 1/20 0.33
POLB P06746 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7091735 0.74 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4HTR3ARAB9A
SCHEMBL17603850 0.71 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4HTR3AALDH1A1
SCHEMBL12549830 0.71 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4HTR3ARAB9A
SCHEMBL1069753 0.69 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4HTR3AALDH1A1
Hydrazine SCHEMBL17603742 0.69 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4HTR3ARAB9A
SCHEMBL4622829 0.69 SRD5A1 (0.46) SLC6A3SLC6A2SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL10965883 0.67 DRD2 (0.47)
SCHEMBL8442229 0.67 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4HTR3ARAB9A
SCHEMBL25367907 0.67 NOS3 (0.40) SLC6A3SLC6A2SLC6A4HTR3AALDH1A1
SCHEMBL22201142 0.67 TP53 (0.51) SLC6A3SLC6A2SLC6A4HTR3AALDH1A1

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
EP-1328275-B1 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-3-ONES, 1,2,4-TRIAZIN-3-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2008-05-07 EP disclosed
US-6995157-B2 Substituted 4,5-dihydro-1,2,4-triazin-3-ones, 1,2,4-triazin-3-ones, and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2006-02-07 US disclosed
EP-1328275-A4 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-3-ONES, 1,2,4-TRIAZIN-3-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2004-03-10 EP disclosed
US-20040019209-A1 Substituted 4,5-dihydro-1,2,4-triazin-3-ones,1,2,4-triazin-3-ones, and their use as fungicides and insecticides DOW AGROSCIENCES LLC 2004-01-29 US disclosed
EP-1328275-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-3-ONES, 1,2,4-TRIAZIN-3-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES Dow AgroSciences LLC (US) 2003-07-23 EP disclosed
WO-2002056682-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-3-ONES, 1,2,4-TRIAZIN-3-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2002-07-25 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-20040019209-A1 Substituted 4,5-dihydro-1,2,4-triazin-3-ones,1,2,4-triazin-3-ones, and their use as fungicides and insecticides DDT, CYP4B1, CYP4X1 SLC6A3 502/4885SLC6A2 1326/4885SLC6A4 914/4885

“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.