SCHEMBL12162012

SCHEMBL12162012

Cc1ccc2c(N3CCCC3)ncnc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.59
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
NPC1 O15118 2/20 0.53
PKM P14618 2/20 0.53
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ACHE P22303 2/20 0.52
BACE1 P56817 2/20 0.52
S1PR2 O95136 1/20 0.52
STAT6 P42226 1/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TP53 P04637 4/20 0.50
CHRM4 P08173 2/20 0.50
ALDH1A1 P00352 1/20 0.50
AKT1 P31749 1/20 0.50
CYP1A2 P05177 1/20 0.49

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
SCHEMBL14595394 0.87 CHRM4 (0.58) RAB9AKDM4ELMNAHTTNPC1
SCHEMBL2921599 0.86 HTT (0.58) PRKDCKDM4ELMNAHTTMAPT
SCHEMBL22911850 0.81 PRKDC (0.59) PRKDCKDM4ELMNAHTTMAPT
SCHEMBL2565138 0.81 CYP1A2 (0.72) PRKDCRAB9AKDM4ELMNAHTT
SCHEMBL25656113 0.79 PRKDC (0.52) PRKDCRAB9AKDM4ELMNAHTT
SCHEMBL15314918 0.79 PRKDC (0.52) PRKDCRAB9AKDM4ELMNAHTT
SCHEMBL3361468 0.78 PRKDC (0.71) PRKDCHTTACHEBACE1HRH4
SCHEMBL29726359 0.77 NPC1 (0.55) RAB9AKDM4ELMNANPC1MAPT
SCHEMBL11015775 0.76 PTK2 (0.73) PRKDCRAB9AKDM4ELMNAHTT
SCHEMBL25841321 0.76 ENPP1 (0.60) HTTACHEBACE1NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 PRKDC 3229/4885RAB9A 2794/4885KDM4E 3171/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 PRKDC 3229/4885RAB9A 2794/4885KDM4E 3171/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 PRKDC 3229/4885RAB9A 2794/4885KDM4E 3171/4885

“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.