SCHEMBL13488657

SCHEMBL13488657

CN(C)CCNc1cccc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
CHRNB2 P17787 4/20 0.41
CHRNB4 P30926 4/20 0.41
CHRNA3 P32297 4/20 0.41
CHRNA4 P43681 4/20 0.41
ATM Q13315 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
RET P07949 1/20 0.39
BCHE P06276 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LCK P06239 1/20 0.38
MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL29394473 0.84 LCK (0.47) MEN1NPC1GAARAB9AKMT2A
SCHEMBL3204707 0.83 CHRNB2 (0.47) CYP2C19CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31106099 0.82 CKS1B (0.43) HRH3ATMCKS1BSKP1SKP2
SCHEMBL304517 0.82 KCNH2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL14622117 0.79 LCK (0.43) MEN1NPC1GAARAB9AKMT2A
SCHEMBL16791381 0.78 CKS1B (0.57) ATMCKS1BSKP1SKP2BCHE
SCHEMBL16790984 0.77 CKS1B (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CKS1B
SCHEMBL16790982 0.76 CKS1B (0.43) CKS1BSKP1SKP2MEN1NPC1
SCHEMBL22523913 0.76 LCK (0.43) MEN1NPC1GAARAB9AKMT2A
SCHEMBL31151002 0.76 RAB9A (0.62) MEN1NPC1RAB9AKMT2ASMN1; SMN2

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 4 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-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

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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 CYP2C19 1086/4885HRH3 4815/4885CHRNB2 4832/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 CYP2C19 334/4885HRH3 4823/4885CHRNB2 4834/4885

“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.