SCHEMBL4526655

SCHEMBL4526655

[CH2]C(CCCN1CCOCC1)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.41
DUSP3 P51452 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
SCN1A P35498 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL5419103 0.93 KEAP1 (0.41) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL15515230 0.88 KEAP1 (0.42) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL5460755 0.85 KEAP1 (0.40) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL5238996 0.81 SLC6A2 (0.39) KEAP1SMN1; SMN2ALDH1A1KDM4EHRH3
SCHEMBL5622310 0.81 KEAP1 (0.39) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL9085403 0.79 SLC6A2 (0.38) KEAP1SMN1; SMN2ALDH1A1KDM4EHRH3
SCHEMBL10713621 0.78 KCNH2 (0.39) SMN1; SMN2HPGDSIGMAR1POLBALDH1A1
SCHEMBL9862688 0.78 KEAP1 (0.50) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL28884650 0.78 KEAP1 (0.46) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL6408641 0.77 KEAP1 (0.44) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112004535-A Combination comprising an HDAC inhibitor and a CD137 agonist for cancer therapy 4SC股份公司 2020-11-27 CN 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-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 WO 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 (2 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 KEAP1 1196/4885SMN1; SMN2 4287/4885HPGD 957/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC KEAP1 580/4885SMN1; SMN2 1799/4885HPGD 2130/4885

“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.