SCHEMBL4534694

SCHEMBL4534694

CCOc1[c]c(F)c(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.33
TUBB1 Q9H4B7 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.30
KDM1A O60341 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL17110577 0.84 KDM4E (0.33) L3MBTL1HTTKDM4EALDH1A1
SCHEMBL17164275 0.82 LTA4H (0.35) L3MBTL1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL17164318 0.79 ALDH1A1 (0.36) ALDH1A1
SCHEMBL17110583 0.75 L3MBTL1 (0.32) NQO1L3MBTL1TUBB1KDM1A
SCHEMBL15939840 0.75 POLB (0.33)
SCHEMBL15067514 0.75 SYK (0.33)
SCHEMBL15067388 0.75 HTR2C (0.39) L3MBTL1TSHR
SCHEMBL4447973 0.74 L3MBTL1 (0.30) L3MBTL1
SCHEMBL17164140 0.73 PARP10 (0.36)
SCHEMBL17110614 0.73 FFAR4 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3129358-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-15 EP claimed
US-20170029383-A1 Diaminotriazine Derivatives as Herbicides BASF SE (DE) 2017-02-02 US claimed
WO-2015155271-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-15 WO claimed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
US-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-04-13 US disclosed
EP-3129358-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-15 EP disclosed
US-20170029383-A1 Diaminotriazine Derivatives as Herbicides BASF SE (DE) 2017-02-02 US disclosed
EP-3122736-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-01 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
WO-2015144881-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-01 WO disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 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 (5 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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R NQO1 1074/4885L3MBTL1 4737/4885HTT 2161/4885
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 NQO1 3/4885L3MBTL1 2609/4885HTT 2016/4885
US-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES DRD3, CBR3, ATL3 NQO1 1820/4885L3MBTL1 1218/4885HTT 2840/4885
US-20170029383-A1 Diaminotriazine Derivatives as Herbicides DDT, CBR3, HDHD5 NQO1 303/4885L3MBTL1 1146/4885HTT 439/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 NQO1 3/4885L3MBTL1 2609/4885HTT 2016/4885

“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.