SCHEMBL4196344

SCHEMBL4196344

N=C(OCc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
KMT2A Q03164 2/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
ALDH1A1 P00352 5/20 0.50
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
IDO1 P14902 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL7625097 0.87 TDP1 (0.46) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL7623647 0.82 TDP1 (0.46) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL8897700 0.82 MAOB (0.56) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL19788868 0.82 KMT2A (0.58) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL3726778 0.77 TDP1 (0.63) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL11268071 0.77 TDP1 (0.63) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL9383761 0.76 ALDH1A1 (0.63) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL437904 0.76 DGAT1 (0.52) KMT2AALDH1A1LMNATSHRNPC1
SCHEMBL320969 0.76 ALDH1A1 (0.52) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL7625113 0.75 ALDH1A1 (0.43) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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 TDP1 1473/4885KMT2A 1074/4885SLC6A2 911/4885

“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.