SCHEMBL3485300

SCHEMBL3485300

COc1ccc(NC(=O)CN2CCC(N(C(C)C)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 3/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
CACNA1B Q00975 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47

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
SCHEMBL3485926 0.93 CACNA1B (0.53) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL3485824 0.91 ALDH1A1 (0.52) SMN1; SMN2MAPTALDH1A1LMNACACNA1B
SCHEMBL3485918 0.91 TSHR (0.56) SMN1; SMN2MAPTALDH1A1LMNACACNA1B
SCHEMBL3485688 0.90 ALDH1A1 (0.50) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL13541700 0.89 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AALDH1A1POLBKDM4E
SCHEMBL3484989 0.88 RORC (0.55) SMN1; SMN2MAPTALDH1A1LMNACACNA1B
SCHEMBL3485705 0.86 ALDH1A1 (0.54) SMN1; SMN2MAPTALDH1A1LMNAHSD17B10
SCHEMBL3485265 0.84 ALDH1A1 (0.47) SMN1; SMN2MAPTALDH1A1LMNACACNA1B
SCHEMBL13541705 0.84 KMT2A (0.51) MAPTKMT2AALDH1A1LMNACACNA1B
SCHEMBL3759221 0.83 ALDH1A1 (0.47) SMN1; SMN2MAPTALDH1A1LMNAHSD17B10

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 7 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
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 1531/4885MAPT 4325/4885RXFP1 376/4885

“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.