SCHEMBL4624028

SCHEMBL4624028

COc1ccc(-c2n[nH]c(=S)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
ALDH1A1 P00352 4/20 0.61
GFER P55789 3/20 0.61
MAPT P10636 2/20 0.61
KDM4E B2RXH2 3/20 0.51
GAA P10253 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 2/20 0.51
MPI P34949 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE1C Q14123 1/20 0.45
PDE3A Q14432 1/20 0.45
CCNE2 O96020 1/20 0.44

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
SCHEMBL10814624 0.87 MEN1 (0.77) MEN1KMT2AALDH1A1GFERMAPT
SCHEMBL4623876 0.79 MEN1 (0.66) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL21852751 0.77 ALDH1A1 (0.67) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL21527257 0.76 ALDH1A1 (1.00) MEN1KMT2AALDH1A1GFERMAPT
SCHEMBL17584763 0.75 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL14525866 0.75 ALDH1A1 (0.64) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4352792 0.73 MEN1 (0.58) MEN1KMT2AALDH1A1LMNAPDE1A
SCHEMBL10508211 0.71 ALDH1A1 (0.60) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5201367 0.70 KMT2A (0.54) MEN1KMT2AALDH1A1GFERMAPT
SCHEMBL4351027 0.70 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4ETDP1

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 MEN1 2524/4885KMT2A 1489/4885ALDH1A1 272/4885

“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.