SCHEMBL945060

SCHEMBL945060

CN(C)N=C1SCC(=O)N1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GFER P55789 1/20 0.46
EGFR P00533 1/20 0.45
KDR P35968 1/20 0.45
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
CA2 P00918 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL945058 1.00 ALDH1A1 (0.54) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL945891 0.82 ALDH1A1 (0.58) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL945889 0.82 ALDH1A1 (0.58) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL947761 0.78 L3MBTL1 (0.70) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL947656 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL947654 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL947759 0.78 L3MBTL1 (0.70) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL8288374 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL12013236 0.78 GFER (0.68) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL28037508 0.78 GFER (0.68) ALDH1A1L3MBTL1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000018-B2 Thiazolidin-4-one-derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2015-04-07 US disclosed
US-RE45174-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-09-30 US disclosed
US-20130310432-A1 NOVEL THIAZOLIDIN-4-ONE-DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-21 US disclosed
US-8524752-B2 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-03 US disclosed
US-20120302612-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES VANDA PHARMACEUTICALS INC. 2012-11-29 US disclosed
US-RE43833-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-11-27 US disclosed
US-RE43728-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-09 US disclosed
US-8273779-B2 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-phenyl-thiazolidin-4-one; {2-[4-(2-([Z]-isopropylimino)-4-oxo-3-phenyl-thiazolidin-5-[Z]-ylidenemethyl)-phenoxy]-ethoxy}-acetic acid; immunosuppressant agents; multiple sclerosis, psoriasis ACTELION PHARMACEUTICALS LTD. (CH) 2012-09-25 US disclosed
EP-2295418-A1 5-(benz-(z)-ylidene)-thiazolidin-4-one derivatives as immunosuppressant agents Actelion Pharmaceuticals Ltd. (CH) 2011-03-16 EP disclosed
US-7875726-B2 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-25 US disclosed
EP-1689726-B1 5-(BENZ- (Z) -YLIDENE) -THIAZOLIDIN-4-ONE DERIVATIVES AS IMMUNOSUPPRESSANT AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-10-06 EP disclosed
US-7626037-B2 5-Benzylidene-2-imino- or hydrazonothiazolidin-4-one derivatives, e.g., 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-phenyl-thiazolidin-4-one and 2-(dimethyl-hydrazono)-5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-3-phenyl-thiazolidin-4-one; immunosuppressant agents ACTELION PHARMACEUTICALS LTD. (CH) 2009-12-01 US disclosed
US-20090275625-A1 NOVEL THIAZOLIDIN 4-ONE DERIVATIVES VANDA PHARMACEUTICALS INC. 2009-11-05 US disclosed
US-20080280962-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-11-13 US disclosed
US-7435828-B2 immunosuppressive agents; low dosages; 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-o-tolyl-thiazolidin-4-one ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-20080146629-A1 5-Benzylidene-2-imino- or hydrazonothiazolidin-4-one derivatives, e.g., 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-phenyl-thiazolidin-4-one and 2-(dimethyl-hydrazono)-5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-3-phenyl-thiazolidin-4-one; immunosuppressant agents ACTELION PHARMACEUTICALS, LTD. (CH) 2008-06-19 US disclosed
US-20070082933-A1 Novel thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS, LTD. 2007-04-12 US disclosed
EP-1689726-A1 5-(BENZ- (Z) -YLIDENE) -THIAZOLIDIN-4-ONE DERIVATIVES AS IMMUNOSUPPRESSANT AGENTS Actelion Pharmaceuticals Ltd. (CH) 2006-08-16 EP disclosed
WO-2005054215-A1 5-(BENZ- (Z) -YLIDENE) -THIAZOLIDIN-4-ONE DERIVATIVES AS IMMUNOSUPPRESSANT AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2005-06-16 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 (6 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-20130310432-A1 NOVEL THIAZOLIDIN-4-ONE-DERIVATIVES TLR4, IRF3, IL4 ALDH1A1 783/4885L3MBTL1 4262/4885MEN1 3851/4885
US-20070082933-A1 Novel thiazolidin-4-one derivatives TLR4, IL4, IRF3 ALDH1A1 671/4885L3MBTL1 4211/4885MEN1 3791/4885
US-20090275625-A1 NOVEL THIAZOLIDIN 4-ONE DERIVATIVES TLR4, IRF3, TLR1 ALDH1A1 835/4885L3MBTL1 4258/4885MEN1 3500/4885
US-20080146629-A1 5-Benzylidene-2-imino- or hydrazonothiazolidin-4-one derivatives, e.g., 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-phenyl-thiazolidin-4-one and 2-(dimethyl-hydrazono)-5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-3-phenyl-thiazolidin-4-one; immunosuppressant agents ICOS, IL2, IKZF3 ALDH1A1 755/4885L3MBTL1 3742/4885MEN1 4006/4885
US-20120302612-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES TLR4, IL4, IRF3 ALDH1A1 671/4885L3MBTL1 4211/4885MEN1 3791/4885
US-20080280962-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES TLR4, IL4, IRF3 ALDH1A1 671/4885L3MBTL1 4211/4885MEN1 3791/4885

“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.