SCHEMBL1102069

SCHEMBL1102069

O=C(CCN1CCc2cc(F)ccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.55
MGAT2 Q10469 1/20 0.43
SCN9A Q15858 11/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
RORC P51449 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL13629587 0.92 SCN3A (0.57) SCN3AMGAT2SCN9AMEN1KMT2A
SCHEMBL1102115 0.88 CHRM2 (0.52) SCN3ASCN9ASMN1; SMN2LMNATSHR
SCHEMBL1102139 0.87 LMNA (0.57) SCN3ASMN1; SMN2LMNATSHRMEN1
SCHEMBL1102137 0.83 CHRM2 (0.60) SCN9ARORCMEN1KMT2A
SCHEMBL9972209 0.78 SCN3A (0.57) SCN3ASMN1; SMN2LMNATSHRMEN1
SCHEMBL13637929 0.76 SCN3A (0.41) SCN3ASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10201439 0.74 CYP1A2 (0.48) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1102070 0.74 CHRM2 (0.65) SCN3ASCN9ASMN1; SMN2LMNATSHR
SCHEMBL1102024 0.74 MEN1 (0.64) SCN9ASMN1; SMN2LMNARORCMEN1
SCHEMBL9972260 0.73 MEN1 (0.54) SCN3ASMN1; SMN2LMNATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 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 (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-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 SCN3A 17/4885MGAT2 2033/4885SCN9A 70/4885

“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.