SCHEMBL1043994

SCHEMBL1043994

[c]1ccc(CNCc2cc3ccccc3[nH]2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.62
HDAC3 O15379 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
LOXL2 Q9Y4K0 1/20 0.47
IDO1 P14902 1/20 0.45
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
CASR P41180 2/20 0.43

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
SCHEMBL4104078 0.87 OPRK1 (0.73) OPRK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1041975 0.84 OPRK1 (0.61) OPRK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL30967720 0.81 OPRK1 (0.65) OPRK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL11982489 0.76 OPRK1 (0.57) OPRK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1460651 0.75 LOXL2 (0.58) OPRK1LOXL2IDO1CASR
SCHEMBL1229637 0.73 LOXL2 (0.60) OPRK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12693644 0.73 HDAC3 (0.56) OPRK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1040846 0.72 MEN1 (0.58) HDAC8HDAC6IDO1
SCHEMBL13668159 0.72 CASR (0.55) OPRK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1616728 0.72 IDO1 (0.56) OPRK1HDAC3HDAC1HDAC2HDAC8

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 19 patents. 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
US-20110166140-A1 NOVEL SULPHONYLPYRROLES MAIER THOMAS 2011-07-07 US disclosed
EP-2272827-A1 Sulphonylpyrroles as hdac inhibitors 4SC AG (DE) 2011-01-12 EP disclosed
US-7842820-B2 Sulfonylpyrroles 4SC AG (DE) 2010-11-30 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 OPRK1 3151/4885HDAC3 2/4885HDAC1 1/4885
US-20070184979-A1 Novel sulfonylpyrroles HDAC1, HDAC4, HDAC3 OPRK1 4090/4885HDAC3 3/4885HDAC1 1/4885
US-20110166140-A1 NOVEL SULPHONYLPYRROLES HDAC1, HDAC3, HDAC2 OPRK1 1831/4885HDAC3 2/4885HDAC1 1/4885
US-20100261761-A1 Novel Sulfonylpyrroles HDAC3, HDAC1, HDAC2 OPRK1 2617/4885HDAC3 1/4885HDAC1 2/4885
US-20090297473-A1 Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors HDAC1, HDAC3, HDAC2 OPRK1 1637/4885HDAC3 2/4885HDAC1 1/4885
US-20130079347-A1 NOVEL SULFONYLPYRROLES HDAC3, HDAC1, HDAC2 OPRK1 2617/4885HDAC3 1/4885HDAC1 2/4885

“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.