SCHEMBL3369604

SCHEMBL3369604

CCCCSc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.53
MAOB P27338 2/20 0.53
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
SLC2A1 P11166 1/20 0.44
AR P10275 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KCNH2 Q12809 1/20 0.42
XDH P47989 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
SDCBP O00560 1/20 0.40
SDC2 P34741 1/20 0.40

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
SCHEMBL9100085 0.94 MAPT (0.51) MAOAMAOBMAPTTP53SLC2A1
SCHEMBL3842009 0.92 TP53 (0.50) MAOAMAOBMAPTTP53SLC2A1
SCHEMBL10528156 0.92 TP53 (0.50) MAOAMAOBMAPTTP53SLC2A1
SCHEMBL9096083 0.92 TP53 (0.50) MAOAMAOBMAPTTP53SLC2A1
SCHEMBL9361405 0.92 TP53 (0.50) MAOAMAOBMAPTTP53SLC2A1
SCHEMBL7928406 0.92 TP53 (0.50) MAOAMAOBMAPTTP53SLC2A1
SCHEMBL5887468 0.89 MAOA (0.62) MAOAMAOBMAPTSLC2A1AR
SCHEMBL2097425 0.86 CA12 (0.52) MAOAMAOBSLC2A1ARSMN1; SMN2
SCHEMBL12467388 0.86 MAPT (0.47) MAOAMAOBMAPTTP53SLC2A1
SCHEMBL10595686 0.86 SMN1; SMN2 (0.48) MAOAMAOBMAPTTP53SLC2A1

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
US-9139774-B2 Diacetylene derivative and liquid crystalline polymer having diacetylene structure TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-09-22 US disclosed
US-9139774-B2 Diacetylene derivative and liquid crystalline polymer having diacetylene structure TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-09-22 US disclosed
EP-2248809-A1 Alkyl-3-[2-(benzo[b]thiophen-5-yl)-ethoxy]-propanoates as intermediates in the production of Azetidin-3-ol derivatives TOYAMA CHEMICAL CO., LTD. (JP) 2010-11-10 EP disclosed
EP-2236488-A1 Materials, methods and uses for photochemical generation of acids and/or radical species The Arizona Board of Regents on behalf of the University of Arizona (US) 2010-10-06 EP disclosed
EP-2210884-A2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propionic acid and 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol as well as salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-28 EP disclosed
US-7465728-B2 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with CDK inhibitory activity ASTRAZENECA AB (SE) 2008-12-16 US disclosed
US-7459106-B2 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-12-02 US disclosed
US-7459106-B2 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-12-02 US disclosed
EP-1390664-A4 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES UNIV ARIZONA (US) 2008-01-02 EP disclosed
WO-2006093467-A1 CONJUGATED ORGANIC MOLECULES FOR MOLECULAR ELECTRONIC DEVICES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-09-08 WO disclosed
EP-1390664-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES The Arizona Board of Regents (US) 2004-02-25 EP disclosed
US-20040014776-A1 Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration ASTRAZENECA AB (SE) 2004-01-22 US disclosed
WO-2003076436-A1 DERIVATIVES OF 4- (IMIDAZOL-5-YL)-2-(4-SULFOANILINO) PYRIMIDINE WITH CDK INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 WO disclosed
WO-2002079691-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2002-10-10 WO disclosed
EP-0664825-B1 THIO-ESTER COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS SECR DEFENCE BRIT (GB) 1999-03-31 EP disclosed
US-5578242-A LIQUID CRYSTALS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE RESEARCH AGENCY (GB) 1996-11-26 US disclosed
EP-0328643-B1 (alpha)-HYDROPEROXYISOPROPYLPHENYL COMPOUNDS AND PROCESS FOR THEIR PREPARATION TERUMO CORP (JP) 1994-07-06 EP disclosed
WO-1994009085-A1 THIO-ESTER COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF THE DEFENCE RESEARCH AGENCY (GB) 1994-04-28 WO disclosed
US-5043142-A Measuring peroxide-active substances TERUMO KABUSHIKI KAISHA (JP) 1991-08-27 US disclosed
EP-0328643-A1 (alpha)-HYDROPEROXYISOPROPYLPHENYL COMPOUNDS AND PROCESS FOR THEIR PREPARATION TERUMO KABUSHIKI KAISHA (JP) 1989-08-23 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 (1 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-20040014776-A1 Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration CCNI, TYMP, MKI67 MAOA 2500/4885MAOB 1944/4885MAPT 4470/4885

“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.