SCHEMBL13007693

SCHEMBL13007693

CN(C)c1ccc(C(CN2CCOCC2)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 16/20 0.47
KMT2A Q03164 16/20 0.47
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL12437175 0.82 MEN1 (0.63) MEN1KMT2ANPC1ATM
SCHEMBL22299557 0.73 KMT2A (0.49) MEN1KMT2ANPC1ATM
SCHEMBL3159420 0.70 OPRL1 (0.49) MEN1KMT2ATP53MAPT
SCHEMBL9658352 0.68 SLC2A1 (0.57) MEN1KMT2ANPC1TP53MAPT
SCHEMBL9658918 0.68 SLC2A1 (0.57) MEN1KMT2ANPC1TP53MAPT
SCHEMBL20711471 0.68 MEN1 (0.50) MEN1KMT2ANPC1ATM
SCHEMBL3045360 0.68 ALDH1A1 (0.47) MEN1KMT2ATP53MAPTKDM4E
SCHEMBL11923150 0.67 KMT2A (0.52) MEN1KMT2ANPC1ATM
SCHEMBL18650042 0.66 TP53 (0.44) MEN1KMT2ATP53MAPTKDM4E
SCHEMBL9094196 0.66 SLC2A1 (0.67) MEN1KMT2ANPC1TP53MAPT

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 6 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-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-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

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 MEN1 4354/4885KMT2A 1686/4885NPC1 2707/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MEN1 4354/4885KMT2A 1686/4885NPC1 2707/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 MEN1 4354/4885KMT2A 1686/4885NPC1 2707/4885

“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.