SCHEMBL1102017

SCHEMBL1102017

COc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc4c5ccccc5n(C)c4n3)cc2)nc(OC)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
KMT2A Q03164 6/20 0.62
POLB P06746 4/20 0.62
MEN1 O00255 3/20 0.62
HSD17B10 Q99714 3/20 0.57
PKM P14618 3/20 0.57
RXFP1 Q9HBX9 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.54
ALDH1A1 P00352 4/20 0.54
USP2 O75604 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 2/20 0.52
TSHR P16473 2/20 0.52
THRB P10828 1/20 0.52
AKT1 P31749 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL1102261 0.85 MAPT (0.71) MAPTKMT2APOLBMEN1HSD17B10
SCHEMBL16084848 0.77 MAPT (0.83) MAPTKMT2APOLBMEN1HSD17B10
SCHEMBL17712411 0.76 MAPT (0.85) MAPTKMT2APOLBMEN1HSD17B10
SCHEMBL1102053 0.76 MAPT (0.69) MAPTKMT2APOLBMEN1HSD17B10
SCHEMBL1102056 0.73 POLB (0.60) MAPTKMT2APOLBMEN1HSD17B10
SCHEMBL24274737 0.71 KMT2A (1.00) MAPTKMT2APOLBMEN1HSD17B10
SCHEMBL10144002 0.71 MAPT (0.79) MAPTKMT2APOLBMEN1PKM
SCHEMBL1102055 0.71 ALDH1A1 (0.64) MAPTKMT2APOLBMEN1PKM
SCHEMBL1102052 0.71 SMN1; SMN2 (0.62) MAPTKMT2APOLBMEN1HSD17B10
SCHEMBL1102111 0.70 MAPT (0.63) MAPTKMT2APOLBMEN1PKM

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 MAPT 1883/4885KMT2A 3111/4885POLB 4241/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 MAPT 1883/4885KMT2A 3111/4885POLB 4241/4885

“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.