SCHEMBL1102096

SCHEMBL1102096

Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc4c(n3)[nH]c3ccccc34)cc2)n1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.82
KMT2A Q03164 5/20 0.82
MAPT P10636 11/20 0.75
POLB P06746 7/20 0.75
TP53 P04637 1/20 0.68
ALDH1A1 P00352 3/20 0.64
LMNA P02545 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
GAA P10253 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HPGD P15428 1/20 0.61
MAPK1 P28482 1/20 0.58
PKM P14618 3/20 0.56
CCNK O75909 1/20 0.54
CDK12 Q9NYV4 1/20 0.54
HTT P42858 1/20 0.53

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
SCHEMBL1102262 0.84 MEN1 (0.79) MEN1KMT2AMAPTPOLBTP53
SCHEMBL12224733 0.83 MAPT (0.80) MEN1KMT2AMAPTPOLBTP53
SCHEMBL1102261 0.81 MAPT (0.71) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL1102053 0.80 MAPT (0.69) MEN1KMT2AMAPTPOLBTP53
SCHEMBL19425508 0.78 MAPT (0.82) MEN1KMT2AMAPTPOLBTP53
SCHEMBL1102056 0.77 POLB (0.60) MEN1KMT2AMAPTPOLBTP53
SCHEMBL12838813 0.77 MEN1 (0.76) MEN1KMT2AMAPTPOLBTP53
SCHEMBL29083651 0.76 KMT2A (0.77) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL12974120 0.74 MEN1 (0.71) MEN1KMT2AMAPTPOLBTP53
SCHEMBL7840398 0.73 MEN1 (1.00) MEN1KMT2AMAPTPOLBTP53

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 8 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
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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 (2 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 MEN1 2329/4885KMT2A 3111/4885MAPT 1883/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 MEN1 2329/4885KMT2A 3111/4885MAPT 1883/4885

“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.