SCHEMBL5023778

SCHEMBL5023778

CCOC(=O)c1ccc(N)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.58
▸ HDAC4 P56524 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ ALDH1A1 P00352 9/20 0.52
▸ MAPT P10636 7/20 0.52
▸ GAA P10253 5/20 0.52
▸ HPGD P15428 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ LMNA P02545 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ HSD17B10 Q99714 5/20 0.47
▸ FHIT P49789 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CDC7 O00311 1/20 0.45
▸ DBF4 Q9UBU7 1/20 0.45
▸ RAB9A P51151 4/20 0.45

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
SCHEMBL7018973 0.86 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL2659566 0.81 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL5068414 0.79 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL3253491 0.79 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL7640681 0.79 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL6848383 0.79 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL222763 0.79 NPSR1 (0.56) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL22689327 0.78 ALDH1A1 (0.39) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL1455540 0.78 ALDH1A1 (0.65) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL64687 0.78 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023359-B Synthesis method of aminothiophene compound and aminothiophene compound 上海泰坦科技股份有限公司 2024-08-02 — — CN disclosed
CN-117298108-A Androgen receptor and glucocorticoid receptor dual-target inhibitor and application thereof 浙江师范大学 2023-12-29 — — CN disclosed
CN-116023359-A Synthesis method of aminothiophene compound and aminothiophene compound 上海泰坦科技股份有限公司 2023-04-28 — — CN disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 — — US disclosed
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-03-03 — — US disclosed
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. 2009-01-01 — — US disclosed
WO-2009002534-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2008-12-31 — — WO disclosed
EP-1299381-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2008-05-07 — — EP disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 — — WO disclosed
US-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases ASTEX THERAPEUTICS LIMITED (GB) 2007-04-12 — — US disclosed
US-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 — — US disclosed
EP-0728018-A1 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-28 — — EP disclosed
EP-0400562-B1 Pyrrolopyrimidines, their production and use as tumoricidal agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-08-21 — — EP disclosed
US-5498755-A IMINE COMPOUNDS FOR SKIN DISORDERS AND ANTIINFLAMMATORY AGENTS ALLERGAN, INC. 1996-03-12 — — US disclosed
WO-1996006070-A1 DISUBSTITUTED ARYL AND HETEROARYL IMINES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-02-29 — — WO disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 — — WO disclosed
EP-0400562-A1 Pyrrolopyrimidines, their production and use as tumoricidal agents Takeda Chemical Industries, Ltd. (JP) 1990-12-05 — — EP disclosed
US-4382143-A Hypolipidemic and antiatherosclerotic novel (monosubstituted-amino)heteroaryl carboxylic acids and analogs AMERICAN CYANAMID COMPANY (US) 1983-05-03 — — US disclosed
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 — — US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 — — 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 (4 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-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases CNKSR1, NOX5, NOX1 HDAC3 1018/4885HDAC4 1612/4885HDAC1 983/4885
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 HDAC3 9/4885HDAC4 8/4885HDAC1 1/4885
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 HDAC3 9/4885HDAC4 8/4885HDAC1 1/4885
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS AHR, TYR, CYP1A1 HDAC3 715/4885HDAC4 558/4885HDAC1 398/4885

“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.

Send feedback