SCHEMBL3199044

SCHEMBL3199044

COCCN(C)CC(=O)Nc1cccc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
KDM4E B2RXH2 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
DDX3X O00571 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.45

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
SCHEMBL14587039 0.86 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBSMN1; SMN2HDAC3
SCHEMBL13489994 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL3197036 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL3220378 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2HDAC3HDAC4
SCHEMBL3223733 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EPOLBSMN1; SMN2HDAC3
SCHEMBL3207805 0.81 HDAC3 (0.53) ALDH1A1KDM4EL3MBTL1POLBHDAC3
SCHEMBL3216562 0.81 MEN1 (0.68) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL2337206 0.81 ALDH1A1 (0.60) ALDH1A1POLBSMN1; SMN2HDAC3HDAC4
SCHEMBL12519444 0.80 EGFR (0.58) ALDH1A1SMN1; SMN2DDX3X
SCHEMBL3212331 0.78 MEN1 (0.67) ALDH1A1KDM4EL3MBTL1SMN1; SMN2HDAC3

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 5 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-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 ALDH1A1 1600/4885KDM4E 3035/4885L3MBTL1 2461/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 ALDH1A1 997/4885KDM4E 2470/4885L3MBTL1 3463/4885

“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.