SCHEMBL1990145

SCHEMBL1990145

C=Cc1c(F)cccc1C=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.53
NFE2L2 Q16236 3/20 0.45
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
IKBKB O14920 1/20 0.35
CYP2A6 P11509 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL652253 0.85 ERN1 (0.59) ERN1NFE2L2MEN1LMNATHRB
SCHEMBL16933848 0.85 NFE2L2 (0.50) ERN1NFE2L2ALDH1A1IKBKBHPGD
SCHEMBL1478239 0.83 ERN1 (0.48) ERN1NFE2L2MEN1LMNATHRB
SCHEMBL30035291 0.80 KMT2A (0.48) ERN1MEN1LMNATHRBBLM
SCHEMBL9560195 0.80 KMT2A (0.48) ERN1MEN1LMNATHRBBLM
SCHEMBL193995 0.79 NFE2L2 (0.46) ERN1NFE2L2LMNATDP1ALDH1A1
SCHEMBL16951670 0.79 NFE2L2 (0.45) ERN1NFE2L2IKBKBHPGDRAB9A
SCHEMBL15080917 0.76 NFE2L2 (0.47) ERN1NFE2L2
SCHEMBL11852153 0.75 ALDH1A1 (0.56) ERN1MEN1LMNATHRBBLM
SCHEMBL8702525 0.75 ERN1 (0.53) ERN1NFE2L2MEN1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115698017-B Methyl 2-methyl-5-oxo-1, 4,5, 7-tetrahydrofurano [3,4-b ] pyridine-3-carboxylate compounds as CAV1.2 activators 诺华股份有限公司 2024-09-24 CN disclosed
EP-4165048-A1 METHYL 2-METHYL-5-OXO-1,4,5,7-TETRADHYDROFURO[3,4- B]PYRIDINE-3-CARBOXYLATE COMPOUNDS AS CAV1.2 ACTIVATORS Novartis AG (CH) 2023-04-19 EP disclosed
CN-115698017-A Methyl 2-methyl-5-oxo-1, 4,5, 7-tetrahydrofuro [3,4-b ] pyridine-3-carboxylate compounds as CAV1.2 activators 诺华股份有限公司 2023-02-03 CN disclosed
US-11453679-B2 Methyl 2-methyl-5-oxo-1,4,5,7-tetradhydrofuro[3,4-b]pyridine-3-carboxylate compounds as Cav1.2 activators NOVARTIS AG (CH) 2022-09-27 US disclosed
WO-2021255608-A1 METHYL 2-METHYL-5-OXO-1,4,5,7-TETRADHYDROFURO[3,4- B]PYRIDINE-3-CARBOXYLATE COMPOUNDS AS CAV1.2 ACTIVATORS NOVARTIS AG (CH) 2021-12-23 WO disclosed
WO-2021255608-A1 METHYL 2-METHYL-5-OXO-1,4,5,7-TETRADHYDROFURO[3,4- B]PYRIDINE-3-CARBOXYLATE COMPOUNDS AS CAV1.2 ACTIVATORS NOVARTIS AG (CH) 2021-12-23 WO disclosed
US-20210387995-A1 METHYL 2-METHYL-5-OXO-1,4,5,7-TETRADHYDROFURO[3,4-b]PYRIDINE-3-CARBOXYLATE COMPOUNDS AS CAV1.2 ACTIVATORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-12-16 US disclosed
US-20210387995-A1 METHYL 2-METHYL-5-OXO-1,4,5,7-TETRADHYDROFURO[3,4-b]PYRIDINE-3-CARBOXYLATE COMPOUNDS AS CAV1.2 ACTIVATORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-12-16 US disclosed
US-9751871-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-09-05 US disclosed
US-20160214970-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-28 US disclosed
US-9167821-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
CN-102781937-B As two (difluoromethyl) pyrazoles of sterilant BAYER CROPSCIENCE AG (DE) 2015-09-30 CN disclosed
EP-2516426-B1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-09-16 EP disclosed
US-20150065541-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-05 US disclosed
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-27 US disclosed
US-8524743-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER CROPSCIENCE AG (DE) 2013-09-03 US disclosed
CN-102781937-A Bis(difluormethyl)pyrazoles used as fungicides BAYER CROPSCIENCE AG 2012-11-14 CN disclosed
EP-2516426-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES Bayer CropScience AG (DE) 2012-10-31 EP disclosed
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-09-15 US disclosed
WO-2011076699-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-06-30 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 (6 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-20150065541-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 ERN1 959/4885NFE2L2 2856/4885MEN1 421/4885
US-20160214970-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 ERN1 959/4885NFE2L2 2856/4885MEN1 421/4885
US-11453679-B2 Methyl 2-methyl-5-oxo-1,4,5,7-tetradhydrofuro[3,4-b]pyridine-3-carboxylate compounds as Cav1.2 activators CACNA1D, CACNA1I, CACNA1S ERN1 4694/4885NFE2L2 4184/4885MEN1 2827/4885
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 ERN1 959/4885NFE2L2 2856/4885MEN1 421/4885
US-20210387995-A1 METHYL 2-METHYL-5-OXO-1,4,5,7-TETRADHYDROFURO[3,4-b]PYRIDINE-3-CARBOXYLATE COMPOUNDS AS CAV1.2 ACTIVATORS CACNA1D, CACNA1I, CACNA1S ERN1 4694/4885NFE2L2 4184/4885MEN1 2827/4885
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 ERN1 959/4885NFE2L2 2856/4885MEN1 421/4885

“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.