SCHEMBL322548

SCHEMBL322548

Oc1ccccc1-c1cc(C(F)(F)F)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
KDM1A O60341 6/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
MCL1 Q07820 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HDAC8 Q9BY41 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
SCHEMBL326629 0.84 TLR7 (0.40) HSD17B10ALOX15MAPK1TP53KDM1A
SCHEMBL23599062 0.83 KDM1A (0.48) HSD17B10ALOX15MAPK1TP53KDM1A
SCHEMBL28726696 0.81 NPC1 (0.49) MAPK1NOS3NOS2MAPKAPK2CDK1
SCHEMBL5685446 0.81 NOS3 (0.50) MAPK1KDM1APOLBNOS3NOS2
SCHEMBL972297 0.80 HSD11B1 (0.45) MAPK1NOS3NOS2MAPKAPK2GSK3A
SCHEMBL321539 0.79 TLR7 (0.39) HSD17B10ALOX15MAPK1TP53POLB
SCHEMBL15674606 0.78 TOP2A (0.44) HSD17B10ALOX15KDM1ANOS3NOS2
SCHEMBL810884 0.78 NOS3 (0.61) MAPK1NOS3NOS2ALDH1A1TSHR
SCHEMBL1968501 0.77 BCAT2 (0.46) NOS3NOS2KDM4ECNR2
SCHEMBL1690539 0.77 TGFBR1 (0.39) NOS3NOS2TLR7CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574510-B Pyrimidine as herbicide Oxyphenyl derivatives FMC 公司 2025-03-07 CN disclosed
US-11447476-B2 Pyrimidinyloxy benzene derivatives as herbicides FMC CORPORATION (US) 2022-09-20 US disclosed
US-20200270238-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES FMC CORP (US) 2020-08-27 US disclosed
CN-111574510-A Pyrimidinyloxybenzene derivatives as herbicides FMC 公司 2020-08-25 CN disclosed
CN-105916849-B Pyrimidinyloxybenzene derivatives as herbicides FMC公司 2020-07-07 CN disclosed
US-10654840-B2 Pyrimidinyloxy benzene derivatives as herbicides FMC CORPORATION (US) 2020-05-19 US disclosed
US-20190084972-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES FMC CORP (US) 2019-03-21 US disclosed
EP-3094631-B1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES FMC CORP (US) 2019-01-09 EP disclosed
US-10131652-B2 Pyrimidinyloxy benzene derivatives as herbicides FMC CORPORATION 2018-11-20 US disclosed
EP-3094631-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2016-11-23 EP disclosed
US-20160333000-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES FMC CORPORATION 2016-11-17 US disclosed
WO-2015108779-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-07-23 WO disclosed
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
EP-2590951-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-15 EP disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US disclosed
US-5783522-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-21 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 (7 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-10131652-B2 Pyrimidinyloxy benzene derivatives as herbicides DDT, NQO2, CBR3 HSD17B10 3209/4885ALOX15 1839/4885MAPK1 2992/4885
US-10654840-B2 Pyrimidinyloxy benzene derivatives as herbicides DDT, NQO2, CBR3 HSD17B10 3209/4885ALOX15 1839/4885MAPK1 2992/4885
US-20200270238-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES DDT, NQO2, CBR3 HSD17B10 3209/4885ALOX15 1839/4885MAPK1 2992/4885
US-20120010182-A1 Chemical Compounds SCN1A, SCN1B, CACNA1E HSD17B10 3885/4885ALOX15 3773/4885MAPK1 280/4885
US-20160333000-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES DDT, NQO2, CBR3 HSD17B10 3209/4885ALOX15 1839/4885MAPK1 2992/4885
US-11447476-B2 Pyrimidinyloxy benzene derivatives as herbicides DDT, NQO2, CBR3 HSD17B10 3209/4885ALOX15 1839/4885MAPK1 2992/4885
US-20190084972-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES DDT, NQO2, CBR3 HSD17B10 3209/4885ALOX15 1839/4885MAPK1 2992/4885

“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.