SCHEMBL2209496

SCHEMBL2209496

CCOC(=O)c1c(O)c2ccsc2n(CC)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
ALDH1A1 P00352 8/20 0.57
LMNA P02545 2/20 0.51
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RECQL P46063 1/20 0.47
FEN1 P39748 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 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
SCHEMBL2207617 0.90 ALDH1A1 (0.58) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2204618 0.89 KDM4E (0.52) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7312010 0.88 KDM4E (0.65) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4155322 0.86 KDM4E (0.58) KDM4EALDH1A1LMNAHTTRECQL
SCHEMBL2210791 0.82 HTR4 (0.53) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2383886 0.76 KDM4E (1.00) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL11083105 0.73 KDM4E (0.60) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL11068656 0.73 ALDH1A1 (0.76) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL15966835 0.72 ALDH1A1 (1.00) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL11486236 0.72 KDM4E (0.59) KDM4EALDH1A1LMNAHTTSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7982040-B2 Thienopyridinone compounds and methods of treatment NANOTHERAPEUTICS, INC. (US) 2011-07-19 US disclosed
US-7576211-B2 Synthesis of thienopyridinone compounds and related intermediates EPIX DELAWARE, INC. (US) 2009-08-18 US disclosed
US-20090163537-A1 Thienopyridinone Compounds and Methods of Treatment NANOSHIFT, LLC 2009-06-25 US disclosed
US-7488736-B2 Thienopyridinone compounds and methods of treatment EPIX DELAWARE, INC. (US) 2009-02-10 US disclosed
US-20060084805-A1 Synthesis of thienopyridinone compounds and related intermediates NANOSHIFT, LLC 2006-04-20 US disclosed
US-20050256153-A1 Thienopyridinone compounds and methods of treatment NANOSHIFT, LLC 2005-11-17 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 (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-20090163537-A1 Thienopyridinone Compounds and Methods of Treatment HTR5A, GIPR, TBXA2R KDM4E 3279/4885ALDH1A1 762/4885LMNA 1329/4885
US-20060084805-A1 Synthesis of thienopyridinone compounds and related intermediates HTR5A, GIPR, HTR1A KDM4E 3570/4885ALDH1A1 733/4885LMNA 1382/4885
US-20050256153-A1 Thienopyridinone compounds and methods of treatment HTR5A, GIPR, TBXA2R KDM4E 3279/4885ALDH1A1 762/4885LMNA 1329/4885

“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.