SCHEMBL296017

SCHEMBL296017

[CH]1Cc2c1[nH]c1ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GPR3 P46089 1/20 0.48
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CHRNA7 P36544 1/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
KDM4E B2RXH2 4/20 0.43
HTR5A P47898 2/20 0.43
NISCH Q9Y2I1 2/20 0.43
NR2E1 Q9Y466 1/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL5891207 0.79 HSD17B10 (0.44) HSD17B10ALDH1A1GPR3HTR2AHTR2C
SCHEMBL1919190 0.79 HTR2A (0.46) HSD17B10ALDH1A1GPR3HTR2AHTR2C
SCHEMBL428079 0.76 HSD17B10 (0.50) HSD17B10ALDH1A1GPR3HTR2AHTR2C
SCHEMBL7079413 0.75 MEN1 (0.41) HSD17B10ALDH1A1GPR3HTR2AHTR2C
SCHEMBL10019851 0.68 HTR2A (0.57) HSD17B10ALDH1A1GPR3HTR2AHTR2C
SCHEMBL30569664 0.68 HTR2A (0.57) HSD17B10ALDH1A1GPR3HTR2AHTR2C
SCHEMBL1120971 0.68 HTR2A (0.57) HSD17B10ALDH1A1GPR3HTR2AHTR2C
SCHEMBL4127395 0.68 KDM4E (0.42) HSD17B10ALDH1A1GPR3HTR2AHTR2C
SCHEMBL2307927 0.68 HTR2A (0.43) HSD17B10ALDH1A1GPR3HTR2AHTR2C
SCHEMBL103312 0.68 HTR2A (0.51) HSD17B10ALDH1A1GPR3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1928872-B1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC 4SC AG (DE) 2012-03-14 EP 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
EP-1868994-B1 SULFONYLPYRROLES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-05-25 EP disclosed
US-20090117074-A1 Sulfonylpyrroles as Histone Deacetylase Inhibitors NYCOMED GMBH (DE) 2009-05-07 US disclosed
EP-1928826-A1 SULPHONYLPYRROLE HYDROCHLORIDE SALTS AS HISTONE DEACETYLASES INHIBITORS Nycomed GmbH (DE) 2008-06-11 EP disclosed
EP-1928872-A1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC S NOVEL SULPHONYLPYRROLES Nycomed GmbH (DE) 2008-06-11 EP disclosed
EP-1868994-A1 SULFONYLPYRROLES AS HISTONE DEACETYLASE INHIBITORS Nycomed GmbH (DE) 2007-12-26 EP disclosed
US-20070184979-A1 Novel sulfonylpyrroles ALTANA PHARMA AG (DE) 2007-08-09 US disclosed
WO-2007039403-A1 SULPHONYLPYRROLE HYDROCHLORIDE SALTS AS HISTONE DEACETYLASES INHIBITORS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
WO-2007039404-A1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC S NOVEL SULPHONYLPYRROLES 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-2006105979-A1 SULFONYLPYRROLES AS HISTONE DEACETYLASE INHIBITORS NYCOMED GMBH (DE) 2006-10-12 WO 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 (4 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-20070184979-A1 Novel sulfonylpyrroles HDAC1, HDAC4, HDAC3 HSD17B10 742/4885ALDH1A1 389/4885GPR3 3494/4885
US-20110166140-A1 NOVEL SULPHONYLPYRROLES HDAC1, HDAC3, HDAC2 HSD17B10 1219/4885ALDH1A1 897/4885GPR3 2045/4885
US-20090117074-A1 Sulfonylpyrroles as Histone Deacetylase Inhibitors HDAC1, HDAC3, HDAC2 HSD17B10 159/4885ALDH1A1 385/4885GPR3 3278/4885
US-20130079347-A1 NOVEL SULFONYLPYRROLES HDAC3, HDAC1, HDAC2 HSD17B10 1413/4885ALDH1A1 1504/4885GPR3 1217/4885

“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.