SCHEMBL4249794

SCHEMBL4249794

O=C1N=C(Nc2c(Cl)cccc2Cl)SC1=Cc1ccc2ncn(CCN3CCCCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
ALDH1A1 P00352 2/20 0.38
ENPP2 Q13822 3/20 0.36
MCHR1 Q99705 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
KMT2A Q03164 4/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 3/20 0.35
ESRRA P11474 1/20 0.34
KDR P35968 2/20 0.33
CDK9 P50750 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4249791 1.00 HDAC1 (0.41) HDAC1ALDH1A1ENPP2MCHR1CISD1
SCHEMBL4242454 0.99 HDAC1 (0.40) HDAC1ALDH1A1ENPP2MCHR1CISD1
SCHEMBL4242457 0.99 HDAC1 (0.40) HDAC1ALDH1A1ENPP2MCHR1CISD1
SCHEMBL4242647 0.93 ALOX5 (0.39) HDAC1ENPP2CISD1ESRRACDK9
SCHEMBL4242645 0.93 ALOX5 (0.39) HDAC1ENPP2CISD1ESRRACDK9
SCHEMBL4244118 0.91 HDAC1 (0.42) HDAC1ALDH1A1ENPP2MCHR1CISD1
SCHEMBL4244117 0.91 HDAC1 (0.42) HDAC1ALDH1A1ENPP2MCHR1CISD1
SCHEMBL4241173 0.90 HDAC1 (0.41) HDAC1ALDH1A1ENPP2MCHR1CISD1
SCHEMBL4241942 0.90 HDAC1 (0.41) HDAC1ALDH1A1MCHR1CISD1KMT2A
SCHEMBL4241938 0.90 HDAC1 (0.41) HDAC1ALDH1A1MCHR1CISD1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US claimed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP claimed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO claimed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP claimed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 WO claimed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 WO 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 HDAC1 2582/4885ALDH1A1 3962/4885ENPP2 1265/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA HDAC1 1247/4885ALDH1A1 1198/4885ENPP2 562/4885

“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.