SCHEMBL13489802

SCHEMBL13489802

CNc1cccc(NC(=O)C(C)(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN5A Q14524 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CETP P11597 1/20 0.41

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
SCHEMBL921576 0.93 L3MBTL1 (0.54) ADORA1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL10691207 0.83 ADORA1 (0.46) ADORA1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL126159 0.82 RAB9A (0.68) SMN1; SMN2MEN1KMT2ARAB9APOLB
SCHEMBL19718960 0.82 ADORA1 (0.48) ADORA1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL30485981 0.82 RAB9A (0.68) SMN1; SMN2MEN1KMT2ARAB9APOLB
SCHEMBL3883249 0.81 FFAR2 (0.48) ADORA1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL29581363 0.81 GRM5 (0.51) ADORA1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL31038670 0.81 ALDH1A1 (0.54) ADORA1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL968790 0.81 GRM5 (0.51) ADORA1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL3211414 0.81 XIAP (0.59) ADORA1L3MBTL1CYP1A2CYP3A4CYP2C9

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 3 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-7511059-B2 Thiazolidinones, their production and use as pharmaceutical agents SCHERING AG (DE) 2009-03-31 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 ADORA1 4393/4885L3MBTL1 2461/4885CYP1A2 1451/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 ADORA1 3737/4885L3MBTL1 3463/4885CYP1A2 691/4885

“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.