SCHEMBL711841

SCHEMBL711841

O=S(=O)(Nc1nccs1)c1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.64
ALOX5 P09917 1/20 0.58
SCN3A Q9NY46 4/20 0.58
NPY5R Q15761 1/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
SCN9A Q15858 2/20 0.51
ALDH1A1 P00352 2/20 0.49
PKM P14618 1/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 1/20 0.48
GFER P55789 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 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
SCHEMBL712318 0.86 MEN1 (0.63) KDM1AALOX5SCN3AMAPTMEN1
SCHEMBL712653 0.86 SCN9A (0.61) SCN3ASCN9A
SCHEMBL711424 0.84 SCN3A (0.56) SCN3AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27214018 0.83 ALOX5 (0.65) KDM1AALOX5NPY5RMAPTMEN1
SCHEMBL713191 0.81 SCN3A (0.65) SCN3AMEN1KMT2ASCN9AALDH1A1
SCHEMBL27214029 0.81 ALOX5 (0.68) KDM1AALOX5NPY5RMAPTMEN1
SCHEMBL23611061 0.78 KDM1A (0.78) KDM1AMAPTMEN1KMT2ANPSR1
SCHEMBL712620 0.78 KMT2A (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1PKM
SCHEMBL1888054 0.78 ALOX5 (0.78) ALOX5NPY5RMAPTMEN1KMT2A
SCHEMBL711626 0.77 ALDH1A1 (0.60) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1

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 KDM1A 2075/4885ALOX5 809/4885SCN3A 7/4885

“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.