SCHEMBL3216612

SCHEMBL3216612

COCCOCC(=O)Nc1cccc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
XIAP P98170 1/20 0.49
BIRC2 Q13490 1/20 0.49
NAMPT P43490 1/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SCN9A Q15858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
AKT1 P31749 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL13899793 0.85 NPC1 (0.53) NPC1RAB9ANAMPTTSHRMAPT
SCHEMBL10084857 0.83 CHRNB2 (0.53) NPC1RAB9ANAMPTTSHRMAPT
SCHEMBL10078880 0.82 NPC1 (0.47) NPC1RAB9ANAMPTTSHRMAPT
SCHEMBL15942884 0.77 XIAP (0.45) NPC1RAB9AXIAPBIRC2TSHR
SCHEMBL16899020 0.76 XIAP (0.59) NPC1RAB9AXIAPBIRC2MAPT
SCHEMBL12934604 0.76 NPC1 (0.67) NPC1RAB9ATSHRMAPTALDH1A1
SCHEMBL31415855 0.74 XIAP (0.50) NPC1RAB9AXIAPBIRC2MAPT
SCHEMBL3220642 0.74 ALDH1A1 (0.53) NPC1RAB9ANAMPTTSHRMAPT
SCHEMBL28734996 0.74 XIAP (0.56) NPC1RAB9AXIAPBIRC2MAPT
SCHEMBL7490347 0.73 XIAP (0.55) NPC1RAB9AXIAPBIRC2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-7511059-B2 Thiazolidinones, their production and use as pharmaceutical agents SCHERING AG (DE) 2009-03-31 US disclosed
US-7511059-B2 Thiazolidinones, their production and use as pharmaceutical agents SCHERING AG (DE) 2009-03-31 US disclosed
US-7511059-B2 Thiazolidinones, their production and use as pharmaceutical agents SCHERING AG (DE) 2009-03-31 US disclosed
CN-101155791-A Thiazolidinones for use as inhibitors of polo-like kinase (plk) BAYER SCHERING PHARMA AG (DE) 2008-04-02 CN disclosed
EP-1844027-A1 THIAZOLIDINONES FOR USE AS INHIBITORS OF POLO-LIKE KINASE (PLK) Bayer Schering Pharma Aktiengesellschaft (DE) 2007-10-17 EP disclosed
EP-1824834-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-29 EP disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20060223833-A1 Thiazolidinones, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-05 US disclosed
WO-2006082107-A1 THIAZOLIDINONES FOR USE AS INHIBITORS OF POLO-LIKE KINASE (PLK) BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-08-10 WO disclosed
WO-2006063806-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-22 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 (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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 NPC1 2648/4885RAB9A 3242/4885XIAP 2660/4885
US-20060223833-A1 Thiazolidinones, their production and use as pharmaceutical agents PLK2, PLK4, PLK3 NPC1 2055/4885RAB9A 3626/4885XIAP 3330/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 NPC1 2564/4885RAB9A 3277/4885XIAP 2925/4885

“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.