SCHEMBL5221625

SCHEMBL5221625

O=CNCc1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.61
ADH1C P00326 1/20 0.61
ADH1A P07327 1/20 0.61
ADH7 P40394 1/20 0.61
CA2 P00918 4/20 0.47
CA1 P00915 3/20 0.47
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
THRB P10828 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
CASP1 P29466 2/20 0.42

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
SCHEMBL8763196 0.88 ADH1B (0.76) ADH1BADH1CADH1AADH7MEN1
SCHEMBL27357713 0.83 CA2 (0.44) ADH1BADH1CADH1AADH7CA2
SCHEMBL26832960 0.82 ADH1B (0.61) ADH1BADH1CADH1AADH7CA2
SCHEMBL8763263 0.81 ADH1B (0.67) ADH1BADH1CADH1AADH7ESR1
SCHEMBL4672721 0.81 ADH1B (0.46) ADH1BADH1CADH1AADH7ESR1
SCHEMBL2701814 0.78 TMEM97 (0.55) CA2CA1ESR1ESR2KDM4E
SCHEMBL6277988 0.78 CA2 (0.61) CA2CA1ESR1ESR2MEN1
SCHEMBL43651 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7CA2
SCHEMBL4633463 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7MEN1
SCHEMBL513192 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329948-B2 Method for the synthesis of substituted formylamines and substituted amines BOBYLEV MIKHAIL (US) 2012-12-11 US claimed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US claimed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US claimed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 EP claimed
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2024-07-11 US disclosed
WO-2023165263-A1 PYRROLOTRIAZINONE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海科技大学 2023-09-07 WO disclosed
CN-114853619-A Preparation method of N-methyltyramine hydrochloride suitable for industrial production 神隆医药(常熟)有限公司 2022-08-05 CN disclosed
US-20210069159-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof VTV THERAPEUTICS LLC 2021-03-11 US disclosed
US-10898475-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof VTV THERAPEUTICS LLC (US) 2021-01-26 US disclosed
US-10463652-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof VTV THERAPEUTICS LLC (US) 2019-11-05 US disclosed
US-20190076410-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof VTV THERAPEUTICS LLC 2019-03-14 US disclosed
US-10172840-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof VTV THERAPEUTICS LLC (US) 2019-01-08 US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
EP-1102755-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2001002364-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2001-01-11 WO disclosed
WO-2000008001-A1 SUBSTITUTED ISOXAZOLE AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 WO disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 WO disclosed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US disclosed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 EP 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-10463652-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof BACH1, KEAP1, NFE2L2 ADH1B 2801/4885ADH1C 4052/4885ADH1A 4245/4885
US-20190076410-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof BACH1, KEAP1, NFE2L2 ADH1B 2801/4885ADH1C 4052/4885ADH1A 4245/4885
US-10898475-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof BACH1, KEAP1, NFE2L2 ADH1B 1207/4885ADH1C 1035/4885ADH1A 810/4885
US-20210069159-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof BACH1, KEAP1, NFE2L2 ADH1B 2700/4885ADH1C 3361/4885ADH1A 3354/4885
US-10172840-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof BACH1, KEAP1, NFE2L2 ADH1B 2801/4885ADH1C 4052/4885ADH1A 4245/4885
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R ADH1B 4074/4885ADH1C 2645/4885ADH1A 2408/4885

“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.