SCHEMBL1102052

SCHEMBL1102052

CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)nc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
MAPT P10636 7/20 0.61
POLB P06746 5/20 0.59
TOP2A P11388 1/20 0.58
TOP2B Q02880 1/20 0.58
ALDH1A1 P00352 7/20 0.57
RECQL P46063 2/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
FGB P02675 1/20 0.56
TP53 P04637 2/20 0.56
PKM P14618 1/20 0.55
HSD17B10 Q99714 2/20 0.54
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 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
SCHEMBL1102055 0.94 ALDH1A1 (0.64) SMN1; SMN2MAPTPOLBTOP2ATOP2B
SCHEMBL1102099 0.91 PKM (0.57) SMN1; SMN2MAPTPOLBTOP2ATOP2B
SCHEMBL1102018 0.91 TOP2A (0.56) SMN1; SMN2MAPTPOLBTOP2ATOP2B
SCHEMBL1102111 0.89 MAPT (0.63) SMN1; SMN2MAPTPOLBTOP2ATOP2B
SCHEMBL1102053 0.86 MAPT (0.69) SMN1; SMN2MAPTPOLBALDH1A1RECQL
SCHEMBL1102262 0.81 MEN1 (0.79) SMN1; SMN2MAPTPOLBTOP2ATOP2B
SCHEMBL17444745 0.78 BACE1 (0.66) SMN1; SMN2MAPTPOLBTOP2ATOP2B
SCHEMBL1102056 0.77 POLB (0.60) SMN1; SMN2MAPTPOLBALDH1A1RECQL
SCHEMBL1102261 0.76 MAPT (0.71) MAPTPOLBALDH1A1RECQLMEN1
SCHEMBL9972263 0.76 SCN3A (0.60) SMN1; SMN2MAPTALDH1A1RECQLMEN1

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 SMN1; SMN2 524/4885MAPT 1883/4885POLB 4241/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 SMN1; SMN2 524/4885MAPT 1883/4885POLB 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.