SCHEMBL17459259

SCHEMBL17459259

COc1cccc(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
BRD9 Q9H8M2 1/20 0.46
NOTUM Q6P988 1/20 0.46
GAA P10253 2/20 0.45
AR P10275 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HTT P42858 1/20 0.43
LMNA P02545 3/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL17459257 0.81 CHRM5 (0.40) CYP1A2NOTUMGAANPC1MAPT
SCHEMBL4293579 0.80 CYP1A2 (0.57) CYP1A2BRD9NOTUMGAAAR
SCHEMBL17459260 0.77 CYP1A2 (0.50) CYP1A2BRD9NOTUMGAAAR
SCHEMBL17459256 0.76 CYP1A2 (0.44) CYP1A2BRD9GAANPC1MAPT
SCHEMBL17537376 0.76 CYP1A2 (0.58) CYP1A2BRD9NOTUMGAAAR
SCHEMBL28906592 0.74 CYP1A2 (0.48) CYP1A2BRD9NOTUMGAASMN1; SMN2
SCHEMBL29223912 0.71 CYP1A2 (0.61) CYP1A2BRD9NOTUMGAAAR
SCHEMBL5534269 0.71 CYP1A2 (0.54) CYP1A2BRD9NOTUMGAAAR
SCHEMBL17931794 0.71 CYP1A2 (0.57) CYP1A2BRD9NOTUMGAAAR
SCHEMBL6315486 0.71 NOTUM (0.59) CYP1A2BRD9NOTUMGAAAR

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-9963442-B2 Pyridones as herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2018-05-08 US disclosed
US-20170204081-A1 PYRIDONES AS HERBICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2017-07-20 US disclosed
EP-3171698-A1 PYRIDONES AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2017-05-31 EP disclosed
WO-2016014814-A1 PYRIDONES AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-01-28 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-20170204081-A1 PYRIDONES AS HERBICIDES CYP1B1, PNPO, CYP1A1 CYP1A2 8/4885BRD9 3708/4885NOTUM 1079/4885

“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.