SCHEMBL900430

SCHEMBL900430

O=C1Nc2ccc(F)cc2OC1(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
BRD4 O60885 6/20 0.43
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
AKR1B1 P15121 5/20 0.34
AKR1A1 P14550 2/20 0.34
AKR1B10 O60218 1/20 0.34
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PGR P06401 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
SCHEMBL16863790 0.83 BRD4 (0.47) KMT2ABRD4MAPTCYP1A2CYP2C19
SCHEMBL19030688 0.81 BRD4 (0.61) KMT2ABRD4MAPTCYP1A2CYP2C19
SCHEMBL31694220 0.81 LMNA (0.43) KMT2ABRD4MAPTCA12CA1
SCHEMBL29240343 0.81 KMT2A (0.44) KMT2ABRD4MAPTCYP1A2CYP2C19
SCHEMBL20436332 0.81 HTT (0.49) KMT2ABRD4MAPTCYP1A2CYP2C19
SCHEMBL29706799 0.81 BRD4 (0.61) KMT2ABRD4MAPTCYP1A2CYP2C19
SCHEMBL32683704 0.81 LMNA (0.43) KMT2ABRD4MAPTCA12CA1
SCHEMBL15323907 0.79 KMT2A (0.46) KMT2ABRD4MAPTCYP1A2CYP2C19
SCHEMBL32683362 0.78 ALDH1A1 (0.39) KMT2ABRD4MAPTXBP1HTT
SCHEMBL23612428 0.77 KMT2A (0.37) KMT2ABRD4MAPTXBP1HTT

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103951632-B The preparation method of 2,2,7-tri-fluoro-2H-1,4-benzoxazine-3 (4H)-one compounds BEIJING NUTRICHEM COMPANY LIMITED (CN) 2016-03-16 CN claimed
CN-108727367-B Benzoxazinone compound containing pyridopyrimidinedione, preparation method and application thereof, and herbicide composition 山东先达农化股份有限公司 2021-01-05 CN disclosed
EP-2651226-B1 HERBICIDAL COMPOSITIONS BASF SE (DE) 2016-11-23 EP disclosed
EP-2651226-B1 HERBICIDAL COMPOSITIONS BASF SE (DE) 2016-11-23 EP disclosed
CN-103951632-B The preparation method of 2,2,7-tri-fluoro-2H-1,4-benzoxazine-3 (4H)-one compounds BEIJING NUTRICHEM COMPANY LIMITED (CN) 2016-03-16 CN disclosed
CN-103951632-B The preparation method of 2,2,7-tri-fluoro-2H-1,4-benzoxazine-3 (4H)-one compounds BEIJING NUTRICHEM COMPANY LIMITED (CN) 2016-03-16 CN disclosed
US-9220268-B2 Herbicidal benzoxazinones BASF SE (DE) 2015-12-29 US disclosed
US-9220268-B2 Herbicidal benzoxazinones BASF SE (DE) 2015-12-29 US disclosed
US-9220268-B2 Herbicidal benzoxazinones BASF SE (DE) 2015-12-29 US disclosed
US-20150250181-A1 Herbicidal Benzoxazinones BASF SE (DE) 2015-09-10 US disclosed
US-20120100991-A1 HERBICIDAL BENZOXAZINONES BASF SE (DE) 2012-04-26 US disclosed
EP-2443102-A1 HERBICIDAL BENZOXAZINONES BASF SE (DE) 2012-04-25 EP disclosed
WO-2012041789-A1 HERBICIDAL BENZOXAZINONES BASF SE (DE) 2012-04-05 WO disclosed
WO-2012041789-A1 HERBICIDAL BENZOXAZINONES BASF SE (DE) 2012-04-05 WO disclosed
WO-2011057935-A1 3-(3,4-DIHYDRO-2H-BENZO [1,4]OXAZIN-6-YL)-1H-PYRIMIDIN-2,4-DIONE COMPOUNDS AS HERBICIDES BASF SE (DE) 2011-05-19 WO disclosed
WO-2011057935-A1 3-(3,4-DIHYDRO-2H-BENZO [1,4]OXAZIN-6-YL)-1H-PYRIMIDIN-2,4-DIONE COMPOUNDS AS HERBICIDES BASF SE (DE) 2011-05-19 WO disclosed
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 WO disclosed
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 WO disclosed
WO-2010145992-A1 HERBICIDAL BENZOXAZINONES BASF SE (DE) 2010-12-23 WO disclosed
WO-2010145992-A1 HERBICIDAL BENZOXAZINONES BASF SE (DE) 2010-12-23 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 (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-20120100991-A1 HERBICIDAL BENZOXAZINONES CYP4X1, AOX1, PRDX5 KMT2A 2398/4885BRD4 1887/4885MAPT 4095/4885
US-20150250181-A1 Herbicidal Benzoxazinones CYP4X1, AOX1, PRDX5 KMT2A 2398/4885BRD4 1887/4885MAPT 4095/4885

“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.