SCHEMBL3485542

SCHEMBL3485542

O=C(CN1CCC(N(C2CC2)S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
CHRNB2 P17787 3/20 0.52
CHRNB4 P30926 3/20 0.52
CHRNA3 P32297 3/20 0.52
CHRNA4 P43681 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
THRB P10828 1/20 0.51
GAA P10253 1/20 0.51
DRD4 P21917 2/20 0.50
KCNT1 Q5JUK3 1/20 0.49
ATM Q13315 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL15891023 0.92 CACNA1B (0.49) SMN1; SMN2LMNAALDH1A1DRD4KCNT1
SCHEMBL3485288 0.91 ALDH1A1 (0.53) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3485689 0.91 IDO1 (0.53) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3485444 0.91 LMNA (0.57) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3485707 0.91 CACNA1B (0.48) LMNAALDH1A1KDM4EDRD4KCNT1
SCHEMBL3485711 0.85 LMNA (0.57) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3486149 0.84 CACNA1B (0.57) SMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL3485429 0.83 CACNA1B (0.55) SMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL3486055 0.82 ALDH1A1 (0.62) SMN1; SMN2LMNAHTTALDH1A1KDM4E
SCHEMBL8234213 0.82 HTR2A (0.46) ALDH1A1DRD4KCNT1TSHR

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
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-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
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
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 SMN1; SMN2 1531/4885CHRNB2 371/4885CHRNB4 312/4885

“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.