SCHEMBL2626635

SCHEMBL2626635

CNS(=O)(=O)c1ccc(C2CCCN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA13 Q8N1Q1 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
MKNK1 Q9BUB5 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41

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
SCHEMBL16409298 0.95 SMN1; SMN2 (0.43) SMN1; SMN2GAACA12CA1CA2
SCHEMBL12719203 0.84 ALDH1A1 (0.49) SMN1; SMN2MKNK1LMNAALDH1A1L3MBTL1
SCHEMBL28307604 0.82 MKNK1 (0.49) SMN1; SMN2MKNK1CHRNB2CHRNA7CHRNA4
SCHEMBL29081389 0.79 SMN1; SMN2 (0.42) SMN1; SMN2GAACA12CA1CA2
SCHEMBL24365441 0.79 SMN1; SMN2 (0.42) SMN1; SMN2GAACA12CA1CA2
SCHEMBL21962249 0.79 CHRNA7 (0.44) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL17782325 0.79 KMT2A (0.44) SMN1; SMN2LMNAALDH1A1CHRNB2CHRNA7
SCHEMBL24364058 0.79 KMT2A (0.44) SMN1; SMN2LMNAALDH1A1CHRNB2CHRNA7
SCHEMBL16409420 0.79 TDP1 (0.48) SMN1; SMN2LMNAHTTALDH1A1KDM4E
SCHEMBL16401187 0.78 KMT2A (0.45) SMN1; SMN2MKNK1CHRNB2CHRNA7CHRNA4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 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 (4 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 SMN1; SMN2 398/4885GAA 1787/4885CA12 3020/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 SMN1; SMN2 1123/4885GAA 1640/4885CA12 3362/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 SMN1; SMN2 600/4885GAA 1522/4885CA12 2671/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 SMN1; SMN2 572/4885GAA 2572/4885CA12 3611/4885

“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.