SCHEMBL4533727

SCHEMBL4533727

COc1ccc(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)cc1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.98
ALDH1A1 P00352 3/20 0.98
MAPT P10636 3/20 0.98
LMNA P02545 2/20 0.98
HPGD P15428 1/20 0.98
MEN1 O00255 5/20 0.81
KMT2A Q03164 5/20 0.81
POLB P06746 2/20 0.81
TSHR P16473 2/20 0.77
HSD17B10 Q99714 2/20 0.77
TDP1 Q9NUW8 2/20 0.77
KDM4E B2RXH2 1/20 0.77
USP2 O75604 1/20 0.77
ALOX15 P16050 1/20 0.77
HTT P42858 1/20 0.77
GFER P55789 1/20 0.77
NPSR1 Q6W5P4 1/20 0.77
NPC1 O15118 2/20 0.69
MMP9 P14780 1/20 0.68
PIK3CG P48736 2/20 0.66

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
SCHEMBL5438395 0.90 ALDH1A1 (0.81) GAAALDH1A1MAPTLMNAHPGD
SCHEMBL4518527 0.90 MEN1 (1.00) GAAALDH1A1MAPTLMNAHPGD
SCHEMBL4533989 0.89 MEN1 (0.89) GAAALDH1A1MAPTLMNAHPGD
SCHEMBL4160940 0.89 ALDH1A1 (0.78) GAAALDH1A1MAPTLMNAHPGD
SCHEMBL4529453 0.89 ALDH1A1 (0.78) GAAALDH1A1MAPTLMNAHPGD
SCHEMBL4526537 0.88 MEN1 (0.98) GAAALDH1A1MAPTLMNAHPGD
SCHEMBL4519779 0.88 MEN1 (0.79) GAAALDH1A1MAPTLMNAHPGD
SCHEMBL3608656 0.87 MAPT (0.76) GAAALDH1A1MAPTLMNAHPGD
SCHEMBL4526089 0.87 MEN1 (0.85) GAAALDH1A1MAPTLMNAHPGD
SCHEMBL4514872 0.87 MEN1 (0.85) GAAALDH1A1MAPTLMNAHPGD

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3811940-B1 SUBSTITUTED 4,5'-BITHIAZOLES AS INHIBITORS OF THE HUMAN DNA TOPOISOMERASE II KEMIJSKI INST (SI) 2023-05-10 EP claimed
EP-3811940-A1 SUBSTITUTED 4,5'-BITHIAZOLES AS INHIBITORS OF THE HUMAN DNA TOPOISOMERASE II Kemijski Institut (SI) 2021-04-28 EP claimed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US claimed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP claimed
EP-3811940-B1 SUBSTITUTED 4,5'-BITHIAZOLES AS INHIBITORS OF THE HUMAN DNA TOPOISOMERASE II KEMIJSKI INST (SI) 2023-05-10 EP disclosed
EP-3811940-A1 SUBSTITUTED 4,5'-BITHIAZOLES AS INHIBITORS OF THE HUMAN DNA TOPOISOMERASE II Kemijski Institut (SI) 2021-04-28 EP disclosed
US-9198914-B2 Methods and compositions for modulating RAD51 and homologous recombination THE UNIVERSITY OF CHICAGO (US) 2015-12-01 US disclosed
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20140142103-A1 Methods and Compositions for Modulating Rad51 and Homologous Recombination THE UNIVERSITY OF CHICAGO (US) 2014-05-22 US disclosed
US-20100248371-A1 METHODS AND COMPOSITIONS FOR MODULATING RAD51 AND HOMOLOGOUS RECOMBINATION UNIVERSITY OF CHICAGO (US) 2010-09-30 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB GAA 4479/4885ALDH1A1 234/4885MAPT 4151/4885
US-20140142103-A1 Methods and Compositions for Modulating Rad51 and Homologous Recombination RAD51, MRE11, RAD50 GAA 4688/4885ALDH1A1 3943/4885MAPT 3907/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC GAA 3788/4885ALDH1A1 174/4885MAPT 1418/4885

“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.