SCHEMBL2567211

SCHEMBL2567211

CN(c1ccc(F)cc1)c1ncc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HDAC6 Q9UBN7 4/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
APP P05067 1/20 0.36
CES1 P23141 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL22453734 0.81 TRPV1 (0.38) HDAC6HDAC1HDAC3HDAC2AURKA
SCHEMBL4886159 0.80 KMT2A (0.44) PTGS1PTGS2HDAC6HDAC1APP
SCHEMBL2567160 0.77 ALDH1A1 (0.43) PTGS1PTGS2HDAC6HDAC1HDAC3
SCHEMBL2566482 0.77 ALDH1A1 (0.38) PTGS1PTGS2HDAC6HDAC1APP
SCHEMBL20267316 0.77 TUBB4A (0.43)
SCHEMBL25354186 0.76 APP (0.43) APPCES1ALDH1A1ALOX15MAPK1
SCHEMBL31217300 0.75 HDAC1 (0.40) HDAC6HDAC1HDAC3HDAC2ALDH1A1
SCHEMBL22452908 0.73 PSMB5 (0.44) HDAC6HDAC1HIF1AKDM4ETDP1
SCHEMBL13338132 0.72 APP (0.52) APPCES1ALDH1A1CYP1A2CYP2C19
SCHEMBL4888854 0.70 APP (0.33) APPCES1ALDH1A1CYP1A2CYP2D6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
CN-101553481-A Substituted sulfonamide derivatives GRUENENTHAL GMBH (DE) 2009-10-07 CN disclosed
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 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 (3 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 PTGS1 169/4885PTGS2 182/4885HDAC6 227/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 PTGS1 169/4885PTGS2 182/4885HDAC6 227/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 PTGS1 169/4885PTGS2 182/4885HDAC6 227/4885

“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.