SCHEMBL1761399

SCHEMBL1761399

O=C(O)c1ccc(-c2cccs2)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
KDM4E B2RXH2 4/20 0.71
LMNA P02545 2/20 0.71
GAA P10253 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
GLA P06280 1/20 0.71
MAPT P10636 1/20 0.71
RAB9A P51151 4/20 0.69
NPC1 O15118 3/20 0.69
HPGD P15428 3/20 0.69
MEN1 O00255 2/20 0.69
POLB P06746 2/20 0.69
KMT2A Q03164 2/20 0.69
TP53 P04637 1/20 0.69
NFKB1 P19838 1/20 0.69
MAPK1 P28482 1/20 0.69
CASP1 P29466 1/20 0.69
CASP7 P55210 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69

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
SCHEMBL498577 0.98 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL4280023 0.98 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL27816591 0.87 RAB9A (0.69) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL7870469 0.86 ALDH1A1 (0.89) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL14854089 0.85 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL5999214 0.85 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL593023 0.83 MEN1 (0.65) ALDH1A1KDM4EGAARAB9AHPGD
SCHEMBL16139778 0.83 KDM4E (0.62) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL4319368 0.83 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL5999215 0.83 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020099560-A1 ELECTROCHEMICAL SENSOR SYSTEM COMPRISING MOLECULARLY IMPRINTED POLYMER FOR EARLY WARNING OF URINARY TRACT INFECTIONS DANMARKS TEKNISKE UNIVERSITET (DK) 2020-05-22 WO claimed
CN-106396438-B A kind of environment protecting cement 邯郸金隅太行水泥有限责任公司 2018-08-28 CN claimed
CN-106396438-A Environment-friendly cement 许勤峰 2017-02-15 CN claimed
CN-106237994-A A kind of hexavalent chromium adsorbent and application thereof 许勤峰 2016-12-21 CN claimed
US-8586746-B2 Amino-aza-adamantane derivatives and methods of use ABBVIE INC. (US) 2013-11-19 US claimed
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP claimed
CN-101516834-B Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI AVENTIS 2013-04-03 CN claimed
EP-2476681-A2 Amino-aza-adamantane derivatives and methods of use Abbott Laboratories (US) 2012-07-18 EP claimed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US claimed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 EP claimed
EP-1926731-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-04 EP claimed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 WO claimed
WO-2007038058-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-04-05 WO claimed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
US-20240228471-A1 MOF, MOF LINKERS AND MANUFACTURING METHOD THEREOF UNIVERSITEIT ANTWERPEN (BE) 2024-07-11 US disclosed
US-20240110914-A1 Devices and Methods for Detection of Viruses from Exhaled Breath NATIONAL SCIENCE FOUNDATION 2024-04-04 US disclosed
US-5747525-A ANTITUMOR AGENTS OF OLIGOMERS OF THIOPHENE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1998-05-05 US disclosed
US-5602170-A ADMINISTERING ANTIIFLAMMATORY AGENT INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1997-02-11 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 (3 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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 ALDH1A1 1034/4885KDM4E 1441/4885LMNA 2815/4885
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 ALDH1A1 3166/4885KDM4E 3870/4885LMNA 2062/4885
US-20240228471-A1 MOF, MOF LINKERS AND MANUFACTURING METHOD THEREOF ILK, MTCL3, FTO ALDH1A1 979/4885KDM4E 146/4885LMNA 2777/4885

“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.