SCHEMBL126978

SCHEMBL126978

O=C1CCCC(=O)C1C(=O)c1cc2cc(Cl)cnc2nc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.39
ATF1 P18846 5/20 0.36
NFKB1 P19838 5/20 0.36
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CNR2 P34972 2/20 0.33
CYP2D6 P10635 1/20 0.33
XPO1 O14980 2/20 0.33
JUN P05412 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL123081 0.81 HPD (0.43) HPDATF1NFKB1XPO1
SCHEMBL127028 0.80 HPD (0.41) HPD
SCHEMBL127169 0.79 ATF1 (0.43) ATF1NFKB1HTTHSD17B10CNR2
SCHEMBL123947 0.78 HPD (0.40) HPD
SCHEMBL126125 0.77 HPD (0.46) HPD
SCHEMBL125934 0.76 HPGDS (0.42) HPD
SCHEMBL122118 0.76 HPD (0.41) HPD
SCHEMBL127143 0.76 HPD (0.39) HPDCYP1A2CYP2C9CYP2C19
SCHEMBL124153 0.75 HPD (0.36) HPDCYP1A2CYP2C9CYP2C19
SCHEMBL126060 0.74 HPD (0.44) HPD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT HPD 239/4885ATF1 3837/4885NFKB1 2092/4885

“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.