SCHEMBL712645

SCHEMBL712645

COc1ccc(Cc2cc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n(C)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.61
SCN9A Q15858 4/20 0.53
PTPN1 P18031 1/20 0.53
PTPN11 Q06124 1/20 0.53
PTPN22 Q9Y2R2 1/20 0.53
ALOX12 P18054 1/20 0.52
POLB P06746 4/20 0.51
USP2 O75604 2/20 0.51
KDM4E B2RXH2 2/20 0.51
PPARG P37231 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 2/20 0.48
MCL1 Q07820 2/20 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
SCHEMBL712892 0.89 SCN9A (0.63) PKMSCN9AALOX12KDM4EMEN1
SCHEMBL711670 0.87 SCN3A (0.58) PKMSCN9AALDH1A1MEN1KMT2A
SCHEMBL711825 0.84 ALDH1A1 (0.55) PKMSCN9AALOX12POLBUSP2
SCHEMBL711876 0.84 SCN9A (0.57) SCN9AALOX12SMN1; SMN2SCN1ASCN8A
SCHEMBL711091 0.83 SCN9A (0.53) PKMSCN9AALOX12MEN1KMT2A
SCHEMBL712666 0.82 KMT2A (0.49) PKMPOLBKDM4ETDP1ALDH1A1
SCHEMBL713598 0.80 SCN9A (0.51) PKMSCN9AALOX12MEN1KMT2A
SCHEMBL712431 0.78 SCN9A (0.66) PKMSCN9AALOX12ALDH1A1MEN1
SCHEMBL713437 0.78 SCN9A (0.56) SCN9AALOX12USP2MEN1KMT2A
SCHEMBL713215 0.78 ALDH1A1 (0.54) PKMUSP2KDM4ETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US claimed
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
EP-2173743-A2 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-14 EP disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US disclosed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 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-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A PKM 2666/4885SCN9A 17/4885PTPN1 841/4885

“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.