SCHEMBL3485252

SCHEMBL3485252

CN(C1CCCCN1C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.59
▸ ALDH1A1 P00352 5/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ HTR2A P28223 2/20 0.52
▸ HTR2C P28335 2/20 0.52
▸ GAA P10253 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40

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
SCHEMBL18426889 0.79 NPC1 (0.50) SIGMAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3485901 0.74 HTR2A (0.71) SIGMAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4592470 0.74 PREP (0.36) ALDH1A1KDM4EHTR2ALMNAL3MBTL1
SCHEMBL5171312 0.74 ALDH1A1 (0.50) SIGMAR1ALDH1A1LMNANPC1RAB9A
SCHEMBL28871447 0.73 CHRM2 (0.38) SIGMAR1GAA
SCHEMBL4159760 0.72 ALDH1A1 (1.00) SIGMAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12077352 0.72 ALDH1A1 (0.93) SIGMAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2505847 0.70 ALDH1A1 (0.83) SIGMAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29995122 0.69 HTR2A (0.37) SIGMAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2350671 0.69 CHRM2 (0.36) GAA

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-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 — — US claimed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 — — US claimed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 — — WO claimed
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 — — US disclosed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 — — US disclosed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 — — 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-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels CACNA1A, CACNA1E, CACNA1B SIGMAR1 327/4885ALDH1A1 2210/4885MEN1 3113/4885

“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.

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