SCHEMBL1105864

SCHEMBL1105864

COC(=O)c1cn(CC(=O)Nc2ccc([S+]([O-])Nc3nccs3)cc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
RXFP1 Q9HBX9 3/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL1102112 0.84 SCN3A (0.56) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL1606434 0.76 SMN1; SMN2 (0.60) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL1102092 0.74 ALDH1A1 (0.55) MAPTSMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL1105771 0.73 ALDH1A1 (0.46) MAPTSMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL9974118 0.71 SCN3A (0.60) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9974134 0.69 SCN3A (0.57) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8388544 0.69 SMN1; SMN2 (0.45) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31346924 0.69 MEN1 (0.77) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL31346908 0.69 GAA (0.79) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13212143 0.68 RAB9A (0.65) MAPTTP53SMN1; SMN2NPC1RAB9A

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 2 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-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 MAPT 1883/4885TP53 4752/4885SMN1; SMN2 524/4885

“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.