SCHEMBL13736166

SCHEMBL13736166

COCCn1c(-c2cc(F)cc(F)c2)cnc(C(=O)C2=C(O)CCCC2=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 16/20 0.41
CYP3A4 P08684 13/20 0.41
HSD17B10 Q99714 12/20 0.41
ALDH1A1 P00352 10/20 0.41
CYP2C9 P11712 7/20 0.41
CYP2C19 P33261 4/20 0.41
HPGD P15428 4/20 0.41
CASP1 P29466 10/20 0.38
CASP7 P55210 10/20 0.38
USP2 O75604 6/20 0.38
GLA P06280 3/20 0.38
HIF1A Q16665 3/20 0.38
CLK4 Q9HAZ1 1/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 1/20 0.37
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35

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
SCHEMBL13736433 0.82 CYP1A2 (0.38) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL13736743 0.80 CYP1A2 (0.49) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL13733869 0.79 CYP1A2 (0.48) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL13737520 0.76 ALDH1A1 (0.42) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL457304 0.67 TDP1 (0.39) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL15570252 0.66 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9895127 0.65 CYP1A2 (0.47) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL16435041 0.65 KMT2A (0.36) ALDH1A1MEN1KMT2AGRIN2BL3MBTL1
SCHEMBL454637 0.64 CYP1A2 (0.40) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL14715247 0.64 CYP1A2 (0.46) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9

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-20140024527-A1 HERBICIDAL PYRAZINONES E I DU DE NEMOURS AND COMPANY (US) 2014-01-23 US claimed
WO-2012148622-A1 HERBICIDAL PYRAZINONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-01 WO claimed
US-20140024527-A1 HERBICIDAL PYRAZINONES E I DU DE NEMOURS AND COMPANY (US) 2014-01-23 US disclosed
WO-2012148622-A1 HERBICIDAL PYRAZINONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-01 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-20140024527-A1 HERBICIDAL PYRAZINONES CYP1B1, CBR3, CYP1A1 CYP1A2 7/4885CYP3A4 15/4885HSD17B10 376/4885

“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.