SCHEMBL4200852

SCHEMBL4200852

[CH2]CC(=O)CCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.57
NAPRT Q6XQN6 1/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 1/20 0.51
CHRNA7 P36544 1/20 0.50
CYP2A6 P11509 1/20 0.47
CYP2D6 P10635 1/20 0.47
ESR1 P03372 1/20 0.47
CYP19A1 P11511 1/20 0.47
MAPT P10636 1/20 0.46
FDPS P14324 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL27939457 0.89 TBXAS1 (0.64) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL12530406 0.83 TBXAS1 (0.57) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL21093385 0.81 TDP1 (0.57) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL10921934 0.81 TBXAS1 (0.64) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
Lithium Ion SCHEMBL987070 0.81 TBXAS1 (0.58) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
Potassium Ion SCHEMBL27486991 0.81 TBXAS1 (0.58) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL333061 0.80 TBXAS1 (0.78) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL29403620 0.80 TBXAS1 (0.78) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL1283208 0.79 TBXAS1 (0.60) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL305976 0.79 TBXAS1 (0.79) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9

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 TBXAS1 2394/4885NAPRT 1426/4885CYP1A2 9/4885

“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.