SCHEMBL1102099

SCHEMBL1102099

O=C(CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.57
TOP2A P11388 1/20 0.56
TOP2B Q02880 1/20 0.56
MAPT P10636 6/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 3/20 0.54
SCN3A Q9NY46 2/20 0.54
FGB P02675 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
PTBP1 P26599 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SIRT2 Q8IXJ6 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 0.92 ALDH1A1 (0.64) PKMTOP2ATOP2BMAPTALDH1A1
SCHEMBL1102052 0.91 SMN1; SMN2 (0.62) PKMTOP2ATOP2BMAPTALDH1A1
SCHEMBL1102018 0.89 TOP2A (0.56) PKMTOP2ATOP2BMAPTALDH1A1
SCHEMBL1102111 0.85 MAPT (0.63) PKMTOP2ATOP2BMAPTALDH1A1
SCHEMBL1102262 0.79 MEN1 (0.79) PKMTOP2ATOP2BMAPTALDH1A1
SCHEMBL17444745 0.78 BACE1 (0.66) PKMTOP2ATOP2BMAPTALDH1A1
SCHEMBL1102053 0.77 MAPT (0.69) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL15113224 0.75 ALDH1A1 (0.84) PKMTOP2ATOP2BMAPTALDH1A1
SCHEMBL1102261 0.75 MAPT (0.71) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL1102056 0.74 POLB (0.60) PKMMAPTALDH1A1MEN1KMT2A

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 PKM 4054/4885TOP2A 2919/4885TOP2B 2994/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 PKM 4054/4885TOP2A 2919/4885TOP2B 2994/4885

“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.