SCHEMBL13452602

SCHEMBL13452602

O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 9/20 1.00
NAMPT P43490 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
SCN1A P35498 1/20 0.53
KCNH2 Q12809 1/20 0.53
SCN5A Q14524 1/20 0.53
SCN9A Q15858 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN8A Q9UQD0 1/20 0.53
SCN10A Q9Y5Y9 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CA1 P00915 1/20 0.52
PTPN1 P18031 1/20 0.51
PTPN11 Q06124 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51
EPHX2 P34913 1/20 0.50

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
SCHEMBL13448133 0.91 SCN3A (0.83) SCN3ANAMPTMEN1KMT2ALMNA
SCHEMBL3161085 0.90 SCN3A (0.81) SCN3ANAMPTMEN1KMT2ASCN9A
SCHEMBL3163420 0.90 SCN3A (0.81) SCN3ANAMPTMEN1KMT2ALMNA
SCHEMBL3173548 0.90 SCN3A (0.81) SCN3ANAMPTMEN1KMT2ARXFP1
SCHEMBL3159033 0.89 SCN3A (0.81) SCN3ANAMPTMEN1KMT2AMAPT
SCHEMBL3163243 0.89 SCN3A (0.80) SCN3ANAMPTMEN1KMT2AMAPT
SCHEMBL3165769 0.89 SCN3A (0.80) SCN3ANAMPTMEN1KMT2AMAPT
SCHEMBL3172176 0.88 SCN3A (0.79) SCN3ANAMPTMEN1KMT2ALMNA
SCHEMBL3171623 0.88 SCN3A (1.00) SCN3ANAMPTMEN1KMT2ASCN1A
SCHEMBL3169361 0.88 SCN3A (0.79) SCN3ANAMPTMEN1KMT2AMAPT

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-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 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 (2 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 SCN3A 13/4885NAMPT 863/4885MEN1 4729/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 SCN3A 13/4885NAMPT 863/4885MEN1 4729/4885

“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.