SCHEMBL4536181

SCHEMBL4536181

CCOc1[c]c(F)cc(F)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL17110674 0.86 TUBB4A (0.31) TUBB1
SCHEMBL17164320 0.84 TSHR (0.33) CYP1A2CYP2D6CYP2C19
SCHEMBL17164329 0.80 ALDH1A1 (0.33)
SCHEMBL15353329 0.79 LMNA (0.34) NQO1TUBB1
SCHEMBL15352881 0.79 CYP1A2 (0.32) NQO1TUBB1CYP1A2CYP2D6
SCHEMBL261996 0.77 NQO2 (0.31) TUBB1
SCHEMBL15067084 0.76 POLB (0.30)
SCHEMBL15939882 0.76 MAPT (0.33) L3MBTL1
SCHEMBL15939662 0.76 POLB (0.33)
SCHEMBL15940174 0.75 HTR2A (0.35)

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 43 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-4652164-A1 INHIBITORS OF CYCLIC GMP-AMP SYNTHASE AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2025-11-26 EP disclosed
WO-2024233812-A1 INHIBITORS OF CYCLIC GMP-AMP SYNTHASE AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2024-11-14 WO disclosed
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO disclosed
US-20230203214-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-06-29 US disclosed
US-20230203214-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-06-29 US disclosed
WO-2021233800-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-11-25 WO disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-10583137-B2 Triazole DAGLα inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2020-03-10 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
US-8466163-B2 Furo[2,3-d]pyrimidines and related compounds and methods for treating disease states by inhibiting tubulin polymerization BIONOMICS LIMITED (AU) 2013-06-18 US disclosed
US-8466163-B2 Furo[2,3-d]pyrimidines and related compounds and methods for treating disease states by inhibiting tubulin polymerization BIONOMICS LIMITED (AU) 2013-06-18 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO disclosed
US-20100048591-A1 CHEMICAL COMPOUNDS AND PROCESSES BIONOMICS LIMITED (AU) 2010-02-25 US disclosed
US-20100048591-A1 CHEMICAL COMPOUNDS AND PROCESSES BIONOMICS LIMITED (AU) 2010-02-25 US disclosed
WO-2008070908-A1 CHEMICAL COMPOUNDS AND PROCESSES BIONOMICS LIMITED (AU) 2008-06-19 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-20100048591-A1 CHEMICAL COMPOUNDS AND PROCESSES LTC4S, HNMT, SQLE NQO1 4/4885TUBB1 364/4885CYP1A2 235/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R NQO1 1074/4885TUBB1 1659/4885CYP1A2 800/4885
US-10583137-B2 Triazole DAGLα inhibitors DAGLB, DAGLA, DGKB NQO1 1191/4885TUBB1 1006/4885CYP1A2 1544/4885
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 NQO1 3/4885TUBB1 2026/4885CYP1A2 36/4885
US-20170029383-A1 Diaminotriazine Derivatives as Herbicides DDT, CBR3, HDHD5 NQO1 303/4885TUBB1 1618/4885CYP1A2 311/4885

“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.