SCHEMBL1105446

SCHEMBL1105446

O=C(CSc1nnc2c3c([nH]c2n1)CCC=C3)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
PKM P14618 3/20 0.53
FGB P02675 1/20 0.49
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TOP2A P11388 1/20 0.47
TOP2B Q02880 1/20 0.47
SCN3A Q9NY46 1/20 0.46
POLB P06746 2/20 0.46
HCRTR1 O43613 1/20 0.46
USP2 O75604 1/20 0.46
PPARG P37231 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL10200607 0.81 ALDH1A1 (0.49) ALDH1A1TDP1RECQLL3MBTL1MEN1
SCHEMBL1102262 0.81 MEN1 (0.79) ALDH1A1TDP1RECQLL3MBTL1MEN1
SCHEMBL17444745 0.74 BACE1 (0.66) ALDH1A1TDP1RECQLL3MBTL1MEN1
SCHEMBL15113518 0.73 ALDH1A1 (0.68) ALDH1A1TDP1RECQLL3MBTL1MEN1
SCHEMBL1102052 0.72 SMN1; SMN2 (0.62) ALDH1A1TDP1RECQLL3MBTL1MEN1
SCHEMBL15113224 0.71 ALDH1A1 (0.84) ALDH1A1TDP1RECQLL3MBTL1MEN1
SCHEMBL1102111 0.71 MAPT (0.63) ALDH1A1TDP1RECQLL3MBTL1MEN1
SCHEMBL1102055 0.71 ALDH1A1 (0.64) ALDH1A1TDP1RECQLL3MBTL1MEN1
SCHEMBL1102018 0.70 TOP2A (0.56) ALDH1A1TDP1RECQLL3MBTL1MEN1
SCHEMBL1102099 0.70 PKM (0.57) ALDH1A1TDP1RECQLL3MBTL1MEN1

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 ALDH1A1 2811/4885TDP1 2356/4885RECQL 895/4885

“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.