SCHEMBL5148477

SCHEMBL5148477

Nc1ccc(OBO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
TDP1 Q9NUW8 6/20 0.50
CYP3A4 P08684 4/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.46
MAOA P21397 3/20 0.42
MAPT P10636 6/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 2/20 0.41
TEAD4 Q15561 1/20 0.41
PARP10 Q53GL7 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
MITF O75030 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL14477632 0.86 MEN1 (0.33) MEN1KMT2ACA14
SCHEMBL201046 0.78 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL3880970 0.76 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL79980 0.76 ESR2 (0.52) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL819814 0.74 CA1 (0.58) ALDH1A1TDP1CYP3A4MAPK1MAPT
SCHEMBL2602434 0.74 ACHE (0.48) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL626870 0.74 LMNA (0.42) ALDH1A1CYP3A4TSHRMAOAMAPT
SCHEMBL121643 0.74 NFE2L2 (0.37) ALDH1A1MAOAMAOBAPPL3MBTL1
SCHEMBL819491 0.74 CYP2A6 (0.42) ALDH1A1TSHRMAPK1MAOAMAPT
SCHEMBL18670944 0.74 NFE2L2 (0.37) ALDH1A1MAOAMAOBAPPL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249719-A Long-acting stable near-infrared cell membrane targeting probe and preparation thereof 中山大学附属第八医院(深圳福田) 2022-03-29 CN claimed
US-20070141678-A1 Processes for purifying oligosaccharides THE PROCTER & GAMBLE COMPANY 2007-06-21 US claimed
US-11858952-B2 Compound and color conversion film comprising same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-20230227458-A1 IRREVERSIBLE INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, INC. 2023-07-20 US disclosed
US-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 US disclosed
US-11702421-B2 Substituted pyridines as irreversible inhibitors of menin-MLL interaction BIOMEA FUSION, LLC (US) 2023-07-18 US disclosed
WO-2023109883-A1 AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2023-06-22 WO disclosed
CN-115894538-A Preparation method of folic acid coupled boron-containing compound 安徽普利药业有限公司 2023-04-04 CN disclosed
CN-114983940-A Bioactive nano micelle and synthesis method thereof 汉中职业技术学院 2022-09-02 CN disclosed
WO-2022166610-A1 PYRIDAZINONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-08-11 WO disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2015-01-08 US disclosed
US-8871754-B2 Compounds and compositions for the treatment of parasitic diseases IRM LLC (BM) 2014-10-28 US disclosed
US-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-08-28 US disclosed
US-8754219-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2014-06-17 US disclosed
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2014-06-05 US disclosed
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-08-08 US disclosed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
US-20110118234-A1 Urea Compounds as Gamma Secretase Modulators AMGEN INC. 2011-05-19 US disclosed
US-20070141678-A1 Processes for purifying oligosaccharides THE PROCTER & GAMBLE COMPANY 2007-06-21 US 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 (10 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-20110118234-A1 Urea Compounds as Gamma Secretase Modulators BACE1, BACE2, PSEN1 ALDH1A1 2026/4885TDP1 1020/4885CYP3A4 2272/4885
US-20230227458-A1 IRREVERSIBLE INHIBITORS OF MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 ALDH1A1 4440/4885TDP1 3269/4885CYP3A4 4547/4885
US-11702421-B2 Substituted pyridines as irreversible inhibitors of menin-MLL interaction MLLT1, MEN1, MLLT3 ALDH1A1 4225/4885TDP1 3497/4885CYP3A4 4062/4885
US-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 ALDH1A1 1143/4885TDP1 4186/4885CYP3A4 213/4885
US-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALDH1A1 4409/4885TDP1 3096/4885CYP3A4 4329/4885
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALDH1A1 4409/4885TDP1 3096/4885CYP3A4 4329/4885
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 ALDH1A1 1143/4885TDP1 4186/4885CYP3A4 213/4885
US-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 ALDH1A1 3262/4885TDP1 782/4885CYP3A4 3765/4885
US-11858952-B2 Compound and color conversion film comprising same BLVRB, CDYL, CRY1 ALDH1A1 689/4885TDP1 3493/4885CYP3A4 385/4885
US-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM SNCA, ADRM1, UBE3C ALDH1A1 3075/4885TDP1 1645/4885CYP3A4 4301/4885

“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.