SCHEMBL711624

SCHEMBL711624

O=S(=O)(Nc1nccs1)c1ccc(Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 6/20 0.63
P2RY1 P47900 1/20 0.52
ALDH1A1 P00352 2/20 0.47
PKM P14618 2/20 0.47
ATM Q13315 1/20 0.47
NAMPT P43490 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EGFR P00533 1/20 0.45
KDR P35968 1/20 0.45
SCN9A Q15858 1/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2C9 P11712 1/20 0.45
EDNRA P25101 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL712587 0.87 LMNA (0.62) SCN3AALDH1A1MEN1KMT2ASCN9A
SCHEMBL711617 0.81 SCN3A (0.61) SCN3AALDH1A1PKMATMNAMPT
SCHEMBL3065005 0.78 SCN3A (0.81) SCN3AALDH1A1PKMATMMEN1
SCHEMBL711670 0.78 SCN3A (0.58) SCN3AALDH1A1PKMATMMEN1
SCHEMBL713191 0.77 SCN3A (0.65) SCN3AALDH1A1PKMATMNAMPT
SCHEMBL713138 0.77 SCN3A (0.60) SCN3ASCN9A
SCHEMBL3467279 0.76 P2RY1 (0.54) SCN3AP2RY1ALDH1A1ATMMEN1
SCHEMBL3060426 0.76 SCN3A (1.00) SCN3AALDH1A1PKMATMMEN1
SCHEMBL711841 0.76 KDM1A (0.64) SCN3AALDH1A1PKMATMMEN1
SCHEMBL3062720 0.75 SCN3A (0.90) SCN3AALDH1A1PKMATMMEN1

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 10 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
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
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
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US 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
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 SCN3A 7/4885P2RY1 152/4885ALDH1A1 3333/4885

“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.