SCHEMBL1102102

SCHEMBL1102102

CC(Cn1ccc2cccc(Cl)c21)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
TDP1 Q9NUW8 2/20 0.55
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
SCN3A Q9NY46 4/20 0.53
SCN5A Q14524 2/20 0.52
SCN9A Q15858 2/20 0.52
SCN1A P35498 1/20 0.52
SCN4A P35499 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN8A Q9UQD0 1/20 0.52
SCN10A Q9Y5Y9 1/20 0.52
POLB P06746 4/20 0.51
MAPT P10636 3/20 0.49
HCRTR1 O43613 1/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
PPARG P37231 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL1102100 0.86 MEN1 (0.56) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL9974116 0.85 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL9972277 0.84 LMNA (0.59) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL1102117 0.82 MEN1 (0.53) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL1102264 0.78 TDP1 (0.56) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL13404066 0.77 TDP1 (0.55) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL13651636 0.77 ALDH1A1 (0.84) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL10031619 0.77 ALDH1A1 (0.84) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL9974127 0.77 MEN1 (0.61) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL15116313 0.76 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1MEN1KMT2A

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 7 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

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 ALDH1A1 2811/4885KDM4E 2385/4885TDP1 2356/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 ALDH1A1 2811/4885KDM4E 2385/4885TDP1 2356/4885

“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.