SCHEMBL1042452

SCHEMBL1042452

[c]1ccc(CNCc2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A4 P14672 1/20 0.50
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 2/20 0.41
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
Gapicomine SCHEMBL1037773 0.86 SLC2A4 (0.61) SLC2A4GAAALDH1A1CYP2D6CYP1A2
SCHEMBL10054983 0.84 SLC2A4 (0.59) SLC2A4GAAALDH1A1CYP2D6CYP1A2
Gapicomine SCHEMBL9336954 0.84 SLC2A4 (0.59) SLC2A4GAAALDH1A1CYP2D6CYP1A2
Gapicomine SCHEMBL6121683 0.84 SLC2A4 (0.59) SLC2A4GAAALDH1A1CYP2D6CYP1A2
SCHEMBL61635 0.79 CYP17A1 (0.48) ALDH1A1CYP2D6CYP1A2CYP3A4LOXL2
SCHEMBL22305387 0.79 SLC2A4 (0.60) SLC2A4GAAALDH1A1CYP2D6CYP1A2
SCHEMBL28330956 0.79 F2 (0.49) GAAALDH1A1KDM4E
SCHEMBL1043672 0.79 SLC2A4 (0.51) SLC2A4GAAALDH1A1CYP2D6CYP1A2
SCHEMBL1044020 0.79 CYP1A2 (0.75) ALDH1A1CYP2D6CYP1A2
SCHEMBL2983745 0.77 DRD4 (0.54) ALDH1A1KDM4EGLA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725528-B1 SULPHONYLPYRROLES AS HDAC INHIBITORS 4SC AG (DE) 2013-05-29 EP claimed
WO-2019043176-A2 HDAC INHIBITOR IN COMBINATION WITH ANTIMETABOLITE AGENT FOR CANCER THERAPY 4SC AG (DE) 2019-03-07 WO disclosed
US-8969401-B2 Sulfonylpyrroles 4SC AG (DE) 2015-03-03 US disclosed
EP-1725528-B1 SULPHONYLPYRROLES AS HDAC INHIBITORS 4SC AG (DE) 2013-05-29 EP disclosed
US-20130079347-A1 NOVEL SULFONYLPYRROLES ALTANA PHARMA AG (DE) 2013-03-28 US disclosed
US-8399505-B2 Sulfonylpyrroles 4SC AG (DE) 2013-03-19 US disclosed
US-8232297-B2 Sulphonylpyrroles as inhibitors of HDACs novel sulphonylpyrroles 4SC AG (DE) 2012-07-31 US disclosed
US-8188138-B2 Sulphonylpyrrole hydrochloride salts as histone deacetylases inhibitors 4SC AG (DE) 2012-05-29 US disclosed
US-8067615-B2 Sulphonylpyrroles 4SC AG (DE) 2011-11-29 US disclosed
US-20110166140-A1 NOVEL SULPHONYLPYRROLES MAIER THOMAS 2011-07-07 US disclosed
US-20100261721-A1 Novel Sulphonylpyrroles MAIER THOMAS 2010-10-14 US disclosed
US-20090297473-A1 Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors NYCOMED GMBH (DE) 2009-12-03 US disclosed
US-20090263353-A1 Novel Sulphonylpyrroles as Inhibitors of Hdac S Novel Sulphonylpyrroles NYCOMED GMBH (DE) 2009-10-22 US disclosed
EP-1928872-A1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC S NOVEL SULPHONYLPYRROLES Nycomed GmbH (DE) 2008-06-11 EP disclosed
EP-1928826-A1 SULPHONYLPYRROLE HYDROCHLORIDE SALTS AS HISTONE DEACETYLASES INHIBITORS Nycomed GmbH (DE) 2008-06-11 EP disclosed
US-20070184979-A1 Novel sulfonylpyrroles ALTANA PHARMA AG (DE) 2007-08-09 US disclosed
WO-2007039404-A1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC S NOVEL SULPHONYLPYRROLES NYCOMED GMBH (DE) 2007-04-12 WO disclosed
WO-2007039403-A1 SULPHONYLPYRROLE HYDROCHLORIDE SALTS AS HISTONE DEACETYLASES INHIBITORS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
EP-1725528-A2 SULPHONYLPYRROLES AS HDAC INHIBITORS Altana Pharma AG (DE) 2006-11-29 EP disclosed
WO-2005087724-A2 SULPHONYLPYRROLES AS HDAC INHIBITORS ALTANA PHARMA AG (DE) 2005-09-22 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 (6 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-20090263353-A1 Novel Sulphonylpyrroles as Inhibitors of Hdac S Novel Sulphonylpyrroles HDAC1, HDAC3, HDAC2 SLC2A4 3862/4885GAA 2212/4885ALDH1A1 1174/4885
US-20070184979-A1 Novel sulfonylpyrroles HDAC1, HDAC4, HDAC3 SLC2A4 924/4885GAA 672/4885ALDH1A1 389/4885
US-20110166140-A1 NOVEL SULPHONYLPYRROLES HDAC1, HDAC3, HDAC2 SLC2A4 4078/4885GAA 3008/4885ALDH1A1 897/4885
US-20100261721-A1 Novel Sulphonylpyrroles HDAC1, HDAC3, HDAC2 SLC2A4 4078/4885GAA 3008/4885ALDH1A1 897/4885
US-20090297473-A1 Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors HDAC1, HDAC3, HDAC2 SLC2A4 3414/4885GAA 2067/4885ALDH1A1 744/4885
US-20130079347-A1 NOVEL SULFONYLPYRROLES HDAC3, HDAC1, HDAC2 SLC2A4 1748/4885GAA 1988/4885ALDH1A1 1504/4885

“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.