SCHEMBL3485740

SCHEMBL3485740

COc1ccc(Cl)cc1NC(=O)CN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.61
KCNT1 Q5JUK3 5/20 0.55
KCNT2 Q6UVM3 1/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NR1I2 O75469 2/20 0.49
POLB P06746 1/20 0.49
USP2 O75604 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CACNA1C Q13936 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL3485463 0.94 CACNA1B (0.65) CACNA1BKCNT1KCNT2ALDH1A1NR1I2
SCHEMBL13541737 0.91 CACNA1B (0.62) CACNA1BKCNT1KCNT2ALDH1A1LMNA
SCHEMBL13543316 0.91 CACNA1B (0.51) CACNA1BKCNT1ALDH1A1MEN1KMT2A
SCHEMBL3485670 0.87 CACNA1B (0.57) CACNA1BMEN1KMT2ANR1I2
SCHEMBL3484996 0.84 ALDH1A1 (0.61) CACNA1BALDH1A1MEN1KMT2ANR1I2
SCHEMBL3485832 0.83 CACNA1B (0.54) CACNA1BALDH1A1LMNANR1I2TSHR
SCHEMBL13541735 0.83 CACNA1B (0.55) CACNA1BALDH1A1MEN1KMT2ANR1I2
SCHEMBL3486130 0.81 CACNA1B (0.54) CACNA1BALDH1A1LMNANR1I2
SCHEMBL3485776 0.81 CACNA1B (0.54) CACNA1BALDH1A1LMNANR1I2
SCHEMBL3485875 0.81 CACNA1B (0.58) CACNA1BNR1I2

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 CACNA1B 3/4885KCNT1 104/4885KCNT2 113/4885

“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.