SCHEMBL3485746

SCHEMBL3485746

O=C(CN1CCC(NCS(=O)(=O)c2ccccc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
LMNA P02545 5/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPT P10636 4/20 0.50
POLB P06746 1/20 0.50
DRD4 P21917 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TACR1 P25103 1/20 0.45
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45

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
SCHEMBL3484955 0.83 CHRNB2 (0.58) ALDH1A1LMNADRD4SMN1; SMN2HTT
SCHEMBL3485749 0.81 LMNA (0.56) ALDH1A1LMNAHSD17B10MAPTPOLB
SCHEMBL18657469 0.78 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10MAPTPOLB
SCHEMBL3486011 0.77 ALDH1A1 (0.57) ALDH1A1LMNAHSD17B10MAPTPOLB
SCHEMBL13541732 0.76 LMNA (0.52) ALDH1A1LMNAHSD17B10MAPTPOLB
SCHEMBL3485714 0.74 DRD4 (0.50) ALDH1A1LMNAHSD17B10MAPTDRD4
SCHEMBL3485937 0.74 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10MAPTPOLB
SCHEMBL3485889 0.74 HTT (0.46) POLBSMN1; SMN2HTTCHRNB2CHRNB4
SCHEMBL1642943 0.73 LMNA (0.56) ALDH1A1LMNAHSD17B10MAPTTSHR
SCHEMBL3486055 0.73 ALDH1A1 (0.62) ALDH1A1LMNAHSD17B10MAPTPOLB

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 4 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
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

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 ALDH1A1 2210/4885LMNA 1608/4885HSD17B10 4401/4885

“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.