SCHEMBL3223733

SCHEMBL3223733

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
DDX3X O00571 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 3/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.46

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 0.92 ALDH1A1 (0.60) ALDH1A1DDX3XHDAC3HDAC4HDAC1
SCHEMBL3197036 0.89 ALDH1A1 (0.53) ALDH1A1DDX3XHDAC3HDAC4HDAC1
SCHEMBL3218312 0.87 ALDH1A1 (0.57) ALDH1A1DDX3XHDAC3HDAC4HDAC1
SCHEMBL2337206 0.86 ALDH1A1 (0.60) ALDH1A1DDX3XHDAC3HDAC4HDAC1
SCHEMBL14621608 0.84 KMT2A (0.51) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3212331 0.83 MEN1 (0.67) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3199044 0.82 ALDH1A1 (0.53) ALDH1A1DDX3XHDAC3HDAC4HDAC1
SCHEMBL3207805 0.81 HDAC3 (0.53) ALDH1A1DDX3XHDAC3HDAC4HDAC1
SCHEMBL3260388 0.81 ALDH1A1 (0.54) ALDH1A1DDX3XHDAC3HDAC4HDAC1
SCHEMBL3211729 0.81 ALDH1A1 (0.54) ALDH1A1DDX3XHDAC3HDAC4HDAC1

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 1600/4885DDX3X 3284/4885HDAC3 2124/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 ALDH1A1 997/4885DDX3X 3444/4885HDAC3 1846/4885

“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.