SCHEMBL945280

SCHEMBL945280

Cc1ccccc1N1C(=O)CSC1=NC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MGLL Q99685 1/20 0.50
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.41
ELANE P08246 1/20 0.41
CASP3 P42574 1/20 0.40
CASP6 P55212 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 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
SCHEMBL945279 1.00 KMT2A (0.51) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL945612 0.89 KMT2A (0.52) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL945611 0.89 KMT2A (0.52) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL945446 0.84 MGLL (0.51) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL944609 0.84 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1L3MBTL1MGLL
SCHEMBL945447 0.84 MGLL (0.51) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL944608 0.84 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1L3MBTL1MGLL
SCHEMBL945276 0.84 S1PR1 (0.42) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL945274 0.84 S1PR1 (0.42) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL945026 0.83 MAPK1 (0.47) KMT2AMEN1ALDH1A1L3MBTL1KDM4E

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912340-B2 Process for the preparation of 2-imino-thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-12-16 US claimed
EP-2094676-B1 NEW PROCESS FOR THE PREPARATION OF 2-IMINOTHIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP claimed
US-20120302758-A1 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES VANDA PHARMACEUTICALS INC. 2012-11-29 US claimed
EP-2489662-A1 New process for the preparation of 2-imino-thiazolidin-4-one derivatives Actelion Pharmaceuticals Ltd. (CH) 2012-08-22 EP claimed
US-20110201821-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATES VANDA PHARMACEUTICALS INC. 2011-08-18 US claimed
US-20100317867-A1 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-16 US claimed
JP-2010510976-A 2010-04-08 JP claimed
EP-2094676-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP claimed
WO-2008062376-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-29 WO claimed
US-9000018-B2 Thiazolidin-4-one-derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2015-04-07 US disclosed
US-8912340-B2 Process for the preparation of 2-imino-thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-12-16 US disclosed
US-RE45174-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-09-30 US disclosed
EP-2489662-B1 Intermediates of a new process for the preparation of 5-benzylidene-2-alkylimino-3-phenylthiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD (CH) 2014-08-06 EP disclosed
US-20130310432-A1 NOVEL THIAZOLIDIN-4-ONE-DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-21 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
WO-2008062376-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-29 WO 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-20100317867-A1 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES IL4, IL15, IL2 KMT2A 4219/4885MEN1 690/4885ALDH1A1 1222/4885
US-20130310432-A1 NOVEL THIAZOLIDIN-4-ONE-DERIVATIVES TLR4, IRF3, IL4 KMT2A 3925/4885MEN1 3851/4885ALDH1A1 783/4885
US-20110201821-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATES IL4, IL2, IL15 KMT2A 3869/4885MEN1 415/4885ALDH1A1 1004/4885
US-20070082933-A1 Novel thiazolidin-4-one derivatives TLR4, IL4, IRF3 KMT2A 3946/4885MEN1 3791/4885ALDH1A1 671/4885
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 2127/4885MEN1 4006/4885ALDH1A1 755/4885
US-20120302758-A1 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES IL4, IL15, IL2 KMT2A 4219/4885MEN1 690/4885ALDH1A1 1222/4885

“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.