SCHEMBL2564465

SCHEMBL2564465

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N1CCN(c2ccccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TIPARP Q7Z3E1 1/20 0.49
ALDH1A1 P00352 9/20 0.49
HSD17B10 Q99714 7/20 0.48
CPT2 P23786 1/20 0.47
CPT1A P50416 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
RECQL P46063 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 4/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2568723 0.86 GRM5 (0.46) ALDH1A1SMN1; SMN2TSHRLMNACYP3A4
SCHEMBL2564687 0.86 SMN1; SMN2 (0.48) KDM4ETIPARPALDH1A1SMN1; SMN2HPGD
SCHEMBL2567875 0.85 GRM5 (0.40) KDM4EKMT2AMEN1TIPARPALDH1A1
SCHEMBL2569113 0.85 ALDH1A1 (0.53) KDM4EKMT2AMEN1TIPARPALDH1A1
SCHEMBL2570095 0.84 MEN1 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL2569115 0.83 HTT (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2568747 0.83 GRIN1 (0.45) ALDH1A1CPT2CPT1ASMN1; SMN2MAPT
SCHEMBL2564519 0.82 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL2563994 0.82 LMNA (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL2568748 0.82 PSEN1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA

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
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP claimed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US claimed
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
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-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

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 KDM4E 3171/4885KMT2A 1686/4885MEN1 4354/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 KDM4E 3171/4885KMT2A 1686/4885MEN1 4354/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 KDM4E 3171/4885KMT2A 1686/4885MEN1 4354/4885

“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.