SCHEMBL4366904

SCHEMBL4366904

OCc1cnc(-c2ccccc2Cl)nc1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
DPP4 P27487 2/20 0.42
CYP1A2 P05177 5/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2C19 P33261 5/20 0.40
CYP2D6 P10635 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 3/20 0.40
GBA1 P04062 1/20 0.40
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.38
ATM Q13315 2/20 0.37
KCNA5 P22460 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL3091841 0.87 CNR1 (0.40) L3MBTL1DPP4CYP1A2CYP3A4CYP2C19
SCHEMBL4981395 0.87 L3MBTL1 (0.48) L3MBTL1DPP4CYP1A2CYP2C19ALDH1A1
SCHEMBL27926997 0.78 L3MBTL1 (0.49) L3MBTL1DPP4CYP1A2CYP3A4CYP2C19
SCHEMBL3296527 0.76 DPP4 (0.46) DPP4CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL3061793 0.75 CYP2A6 (0.42) L3MBTL1DPP4CYP1A2CYP3A4CYP2C19
SCHEMBL4461787 0.75 DPP4 (0.59) L3MBTL1DPP4CYP1A2CYP3A4CYP2C19
SCHEMBL11632316 0.72 DPP4 (0.71) DPP4ALDH1A1MAPK1KDM4EGLA
SCHEMBL27308285 0.72 L3MBTL1 (0.43) L3MBTL1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL4185246 0.71 PIK3CD (0.50) CYP3A4ALDH1A1KDM4EGLAKMT2A
SCHEMBL3810496 0.71 CYP1A2 (0.46) L3MBTL1CYP1A2CYP3A4CYP2C19CYP2D6

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 2 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
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

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 L3MBTL1 2239/4885DPP4 20/4885CYP1A2 8/4885

“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.