SCHEMBL2787653

SCHEMBL2787653

O=C1N=C(Nc2ccccc2[N+](=O)[O-])SC1=Cc1ccc2nsnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 2/20 0.44
POLB P06746 1/20 0.44
ALOX5 P09917 2/20 0.38
MAPK1 P28482 3/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP7 P55210 2/20 0.38
TXNRD1 Q16881 2/20 0.38
TXNRD3 Q86VQ6 2/20 0.38
TXNRD2 Q9NNW7 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 2/20 0.37
GSK3A P49840 1/20 0.37
TDP2 O95551 1/20 0.37
CASP9 P55211 1/20 0.37

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
SCHEMBL13196884 1.00 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL13196871 0.88 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL2790622 0.88 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL2787391 0.84 PIK3CD (0.46) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL2787394 0.84 PIK3CD (0.46) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL13196946 0.83 KMT2A (0.38) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL13196869 0.75 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL2789845 0.75 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL2788626 0.75 CISD1 (0.40) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL13196880 0.75 CISD1 (0.40) MEN1KMT2AMAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767701-B2 protein serine/threonine kinase inhibitors such as 2-(2-Chloro-5-fluoro-phenylimino)-5-(2,3-dihydro-benzo[1-6]dioxin-6-ylmethylene)-thiazolidin-4-one, used for treating autoimmune diseases, HIV, cancer, anemia myelodysplastic syndrome and thrombocytopenia GLAXOSMITHKLINE LLC (US) 2010-08-03 US claimed
US-20090023742-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-01-22 US claimed
EP-1993535-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP claimed
EP-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP claimed
WO-2007103754-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO claimed
US-20060293338-A1 Novel chemical compounds GLAXOSMITHKLINE LLC 2006-12-28 US claimed
EP-1567112-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-11-15 EP claimed
EP-1567112-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-31 EP claimed
WO-2004047760-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-10 WO claimed
US-7767701-B2 protein serine/threonine kinase inhibitors such as 2-(2-Chloro-5-fluoro-phenylimino)-5-(2,3-dihydro-benzo[1-6]dioxin-6-ylmethylene)-thiazolidin-4-one, used for treating autoimmune diseases, HIV, cancer, anemia myelodysplastic syndrome and thrombocytopenia GLAXOSMITHKLINE LLC (US) 2010-08-03 US disclosed
US-20090023742-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
EP-1993535-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
EP-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP disclosed
WO-2007103754-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
US-20060293338-A1 Novel chemical compounds GLAXOSMITHKLINE LLC 2006-12-28 US disclosed
EP-1567112-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-11-15 EP disclosed
EP-1567112-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-31 EP disclosed
WO-2004047760-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-10 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-20060293338-A1 Novel chemical compounds HIPK3, HIPK1, HIPK4 MEN1 4161/4885KMT2A 3255/4885MAPT 1782/4885
US-20090023742-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA MEN1 2870/4885KMT2A 3096/4885MAPT 2228/4885

“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.