SCHEMBL297346

SCHEMBL297346

CC(C)(C)[Si](C)(C)OCCNCCc1c[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.58
MC5R P33032 1/20 0.56
MC3R P41968 1/20 0.56
MC1R Q01726 1/20 0.56
G6PD P11413 1/20 0.55
HTR1A P08908 6/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
BCHE P06276 1/20 0.52
SLC6A4 P31645 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
GLA P06280 1/20 0.49
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL7902192 0.87 HTR2A (0.50) HTR2AMC5RMC3RMC1RHTR1A
SCHEMBL5946187 0.85 SLC6A4 (0.52) HTR2AHTR1AALDH1A1KDM4EHTT
SCHEMBL3241386 0.80 HTR2A (0.68) HTR2AMC5RMC3RMC1RG6PD
SCHEMBL17232881 0.80 MC5R (0.83) HTR2AMC5RMC3RMC1RG6PD
SCHEMBL7970552 0.78 MC5R (0.81) HTR2AMC5RMC3RMC1RG6PD
SCHEMBL17117987 0.76 HTR2A (0.70) HTR2AMC5RMC3RMC1RG6PD
SCHEMBL14960999 0.76 HTR2A (0.79) HTR2AMC5RMC3RMC1RG6PD
SCHEMBL2733509 0.76 HTR2A (0.69) HTR2AMC5RMC3RMC1RG6PD
SCHEMBL1972829 0.74 HTR2A (1.00) HTR2AMC5RMC3RMC1RG6PD
SCHEMBL20388644 0.74 MC5R (0.68) HTR2AMC5RMC3RMC1RG6PD

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
EP-1928826-B1 SULPHONYLPYRROLE HYDROCHLORIDE SALTS AS HISTONE DEACETYLASES INHIBITORS 4SC AG (DE) 2013-04-24 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-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-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 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
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HTR2A 2987/4885MC5R 3345/4885MC3R 2699/4885
US-20070184979-A1 Novel sulfonylpyrroles HDAC1, HDAC4, HDAC3 HTR2A 2391/4885MC5R 3464/4885MC3R 3359/4885
US-20110166140-A1 NOVEL SULPHONYLPYRROLES HDAC1, HDAC3, HDAC2 HTR2A 2449/4885MC5R 2471/4885MC3R 1654/4885
US-20130079347-A1 NOVEL SULFONYLPYRROLES HDAC3, HDAC1, HDAC2 HTR2A 1660/4885MC5R 3122/4885MC3R 2059/4885

“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.