SCHEMBL1044179

SCHEMBL1044179

[c]1ccc(CNCc2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.47
FTO Q9C0B1 1/20 0.47
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 2/20 0.41
CYP2A6 P11509 2/20 0.40
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
AHR P35869 3/20 0.40
NR4A2 P43354 2/20 0.40
F7 P08709 1/20 0.40
LTA4H P09960 1/20 0.40
F3 P13726 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
RAD51 Q06609 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1041739 0.82 KDM1A (0.44) ALKBH5FTOKDM1AMAOAMAOB
SCHEMBL1252143 0.78 KDM1A (0.50) ALKBH5FTOKDM1AMAOAMAOB
SCHEMBL1230498 0.76 MC4R (0.57) ALKBH5FTOKDM1AMAOAMAOB
SCHEMBL16709819 0.75 ABL1 (0.53) MAOAMAOBHDAC1HDAC8ABL1
SCHEMBL31369927 0.74 HDAC1 (0.49) ALKBH5FTOKDM1AMAOAMAOB
SCHEMBL23023032 0.73 GAA (0.53) KDM1AMAOAMAOBHDAC1HDAC8
SCHEMBL1230497 0.73 HDAC1 (0.48) ALKBH5FTOKDM1AMAOAMAOB
SCHEMBL8666600 0.72 HDAC1 (0.55) KDM1AMAOAMAOBHDAC1HDAC8
SCHEMBL13428865 0.71 KDM1A (0.47) ALKBH5FTOKDM1AMAOAMAOB
SCHEMBL1570966 0.71 KDM1A (0.47) ALKBH5FTOKDM1AMAOAMAOB

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-20100261761-A1 Novel Sulfonylpyrroles 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 ALKBH5 2063/4885FTO 2187/4885KDM1A 43/4885
US-20070184979-A1 Novel sulfonylpyrroles HDAC1, HDAC4, HDAC3 ALKBH5 2295/4885FTO 1350/4885KDM1A 17/4885
US-20110166140-A1 NOVEL SULPHONYLPYRROLES HDAC1, HDAC3, HDAC2 ALKBH5 1738/4885FTO 1530/4885KDM1A 37/4885
US-20100261761-A1 Novel Sulfonylpyrroles HDAC3, HDAC1, HDAC2 ALKBH5 3268/4885FTO 2752/4885KDM1A 42/4885
US-20090297473-A1 Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors HDAC1, HDAC3, HDAC2 ALKBH5 2223/4885FTO 1996/4885KDM1A 30/4885
US-20130079347-A1 NOVEL SULFONYLPYRROLES HDAC3, HDAC1, HDAC2 ALKBH5 3268/4885FTO 2752/4885KDM1A 42/4885

“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.