SCHEMBL6376901

SCHEMBL6376901

O=C(O)c1ccc(C(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.45
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40
ACLY P53396 1/20 0.39
GFER P55789 1/20 0.38
CYP1A2 P05177 1/20 0.38
P2RX7 Q99572 1/20 0.38
DHODH Q02127 1/20 0.37
XPO1 O14980 2/20 0.37

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
SCHEMBL5262306 0.87 TUBB4A (0.50) TAS2R14LMNANPC1RAB9AKDM4E
SCHEMBL4188205 0.85 LMNA (0.46) LMNANPC1RAB9AGAAP2RX7
SCHEMBL4480620 0.82 TAS2R14 (0.46) TAS2R14LMNANPC1RAB9AKDM4E
SCHEMBL24868103 0.81 TAS2R14 (0.45) TAS2R14LMNANPC1RAB9AKDM4E
SCHEMBL9700547 0.81 TAS2R14 (0.45) TAS2R14LMNANPC1RAB9AKDM4E
SCHEMBL21645056 0.81 ALDH1A1 (0.41) TAS2R14KDM4EHPGDALDH1A1HSD17B10
SCHEMBL122983 0.80 TAS2R14 (0.40) TAS2R14LMNAKDM4EHPGDALDH1A1
SCHEMBL165279 0.79 KEAP1 (0.46) TAS2R14LMNANPC1RAB9AKDM4E
SCHEMBL167782 0.79 KDM4E (0.47) TAS2R14LMNANPC1RAB9AKDM4E
SCHEMBL1267198 0.79 XPO1 (0.56) KDM4EHPGDALDH1A1HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020016345-A1 Pyridine ketones useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-02-07 US claimed
EP-1114030-A1 PYRIDINE KETONES USEFUL AS HERBICIDES Syngenta Participations AG (CH) 2001-07-11 EP claimed
WO-2000015615-A1 PYRIDINE KETONES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-03-23 WO claimed
US-4747871-A 2,6-bis(trifluoromethyl)-3-hydroxycarbonyl pyridine, salts and gametocides MONSANTO COMPANY (US) 1988-05-31 US claimed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
EP-1114030-B1 PYRIDINE KETONES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-01 EP disclosed
US-6358634-B1 LIGHT EMITTING DIODES WITH ORGANOMETALLIC COMPLEXES FUJI PHOTO FILM CO., LTD. (JP) 2002-03-19 US disclosed
EP-1114030-A1 PYRIDINE KETONES USEFUL AS HERBICIDES Syngenta Participations AG (CH) 2001-07-11 EP disclosed
WO-2000015615-A1 PYRIDINE KETONES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-03-23 WO disclosed
US-4747871-A 2,6-bis(trifluoromethyl)-3-hydroxycarbonyl pyridine, salts and gametocides MONSANTO COMPANY (US) 1988-05-31 US disclosed
US-4747871-A 2,6-bis(trifluoromethyl)-3-hydroxycarbonyl pyridine, salts and gametocides MONSANTO COMPANY (US) 1988-05-31 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 (2 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-20020016345-A1 Pyridine ketones useful as herbicides DDT, PDHA1, IDH2 TAS2R14 2962/4885LMNA 4284/4885NPC1 4388/4885
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK TAS2R14 4506/4885LMNA 3915/4885NPC1 3973/4885

“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.