SCHEMBL17459256

SCHEMBL17459256

O=c1cccc(Oc2ncc(Cl)cn2)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
RXRA P19793 5/20 0.43
GRIN1 Q05586 5/20 0.43
GRIN2B Q13224 5/20 0.43
BRD9 Q9H8M2 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
MAT2A P31153 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL17459254 0.85 RXRA (0.53) RXRAGRIN1GRIN2B
SCHEMBL17459261 0.80 RXRA (0.40) CYP1A2RXRAGRIN1GRIN2BNPC1
SCHEMBL17459259 0.76 CYP1A2 (0.53) CYP1A2BRD9NPBWR1MCHR1NPC1
SCHEMBL11573132 0.73 L3MBTL1 (0.50) CYP1A2NPC1RAB9AMAPTMEN1
SCHEMBL4293579 0.69 CYP1A2 (0.57) CYP1A2BRD9MEN1KMT2AGAA
SCHEMBL17459260 0.69 CYP1A2 (0.50) CYP1A2BRD9MEN1KMT2AGAA
SCHEMBL17537376 0.67 CYP1A2 (0.58) CYP1A2BRD9MAPTMEN1KMT2A
SCHEMBL11724266 0.67 NPC1 (0.60) CYP1A2NPBWR1MCHR1NPC1RAB9A
SCHEMBL28744539 0.66 CYP1A2 (0.48) CYP1A2BRD9MAT2AMEN1KMT2A
SCHEMBL31532178 0.66 ALOX5AP (0.45) CYP1A2MAPTMEN1KMT2AGAA

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 8 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 claimed
US-20170204081-A1 PYRIDONES AS HERBICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2017-07-20 US claimed
EP-3171698-A1 PYRIDONES AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2017-05-31 EP claimed
WO-2016014814-A1 PYRIDONES AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-01-28 WO claimed
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 8/4885RXRA 392/4885GRIN1 709/4885

“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.