SCHEMBL642958

SCHEMBL642958

CN(C)C(c1ccc(Cl)cc1)C1CCC(CCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 4/20 0.39
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
TACR2 P21452 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
P2RX7 Q99572 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL644868 0.94 KMT2A (0.44) KMT2ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL643063 0.92 CXCR3 (0.42) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL645036 0.90 KMT2A (0.42) KMT2ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL643252 0.87 KMT2A (0.42) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL644580 0.86 KMT2A (0.42) KMT2ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL643403 0.83 SPPL2A (0.39) KMT2ASMN1; SMN2HTTLMNATACR2
SCHEMBL644212 0.83 HTT (0.45) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL1328386 0.82 P2RX7 (0.50) NPC1CHRM1HPGDP2RX7
SCHEMBL644813 0.82 L3MBTL1 (0.41) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL643082 0.80 MAPT (0.36) KMT2AALDH1A1SMN1; SMN2HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP claimed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP claimed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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 (1 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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A KMT2A 2577/4885NPC1 1154/4885ALDH1A1 511/4885

“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.