SCHEMBL944502

SCHEMBL944502

CN=C1SCC(=O)N1c1cccc(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 7/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.37
KDM5A P29375 1/20 0.36
ADRB1 P08588 1/20 0.36
MAP3K7 O43318 1/20 0.36

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
SCHEMBL944501 1.00 KMT2A (0.55) KMT2AALDH1A1HPGDMEN1L3MBTL1
SCHEMBL945611 0.85 KMT2A (0.52) KMT2AALDH1A1HPGDMEN1L3MBTL1
SCHEMBL945612 0.85 KMT2A (0.52) KMT2AALDH1A1HPGDMEN1L3MBTL1
SCHEMBL945680 0.85 L3MBTL1 (0.52) KMT2AALDH1A1HPGDMEN1L3MBTL1
SCHEMBL945679 0.85 L3MBTL1 (0.52) KMT2AALDH1A1HPGDMEN1L3MBTL1
SCHEMBL945949 0.82 KMT2A (0.50) KMT2AALDH1A1HPGDMEN1L3MBTL1
SCHEMBL945951 0.82 KMT2A (0.50) KMT2AALDH1A1HPGDMEN1L3MBTL1
SCHEMBL946886 0.80 KMT2A (0.48) KMT2AALDH1A1HPGDMEN1L3MBTL1
SCHEMBL946887 0.80 KMT2A (0.48) KMT2AALDH1A1HPGDMEN1L3MBTL1
SCHEMBL945889 0.73 ALDH1A1 (0.58) KMT2AALDH1A1MEN1L3MBTL1NPC1

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 KMT2A 3925/4885ALDH1A1 783/4885HPGD 1302/4885
US-20070082933-A1 Novel thiazolidin-4-one derivatives TLR4, IL4, IRF3 KMT2A 3946/4885ALDH1A1 671/4885HPGD 1505/4885
US-20090275625-A1 NOVEL THIAZOLIDIN 4-ONE DERIVATIVES TLR4, IRF3, TLR1 KMT2A 3997/4885ALDH1A1 835/4885HPGD 1375/4885
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 KMT2A 2127/4885ALDH1A1 755/4885HPGD 362/4885
US-20120302612-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES TLR4, IL4, IRF3 KMT2A 3946/4885ALDH1A1 671/4885HPGD 1505/4885
US-20080280962-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES TLR4, IL4, IRF3 KMT2A 3946/4885ALDH1A1 671/4885HPGD 1505/4885

“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.