SCHEMBL1102118

SCHEMBL1102118

O=C(Cn1cnc2cc(Cl)c(Cl)cc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SCN3A Q9NY46 1/20 0.55
ALDH1A1 P00352 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
AVPR2 P30518 1/20 0.55
GPR27 Q9NS67 1/20 0.55
RECQL P46063 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
PKM P14618 2/20 0.53
PPIA P62937 2/20 0.52
HPGD P15428 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
SCHEMBL9974111 0.86 LMNA (0.57) LMNATSHRSMN1; SMN2SCN3AALDH1A1
SCHEMBL9974100 0.81 PKM (0.54) LMNATSHRSMN1; SMN2SCN3AALDH1A1
SCHEMBL9972245 0.80 MAPT (0.60) LMNATSHRSMN1; SMN2SCN3AALDH1A1
SCHEMBL9974112 0.80 AVPR2 (0.59) LMNATSHRSMN1; SMN2SCN3AALDH1A1
SCHEMBL9972246 0.80 AVPR2 (0.59) LMNATSHRSMN1; SMN2SCN3AALDH1A1
SCHEMBL12838829 0.80 SMN1; SMN2 (0.62) LMNATSHRSMN1; SMN2SCN3AALDH1A1
SCHEMBL1102029 0.79 LMNA (0.60) LMNATSHRSMN1; SMN2SCN3AALDH1A1
SCHEMBL9972248 0.78 PKM (0.59) LMNATSHRSMN1; SMN2SCN3AALDH1A1
SCHEMBL9974116 0.78 ALDH1A1 (0.61) LMNATSHRSMN1; SMN2SCN3AALDH1A1
SCHEMBL1091775 0.77 SCN3A (0.64) LMNATSHRSMN1; SMN2SCN3AALDH1A1

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 6 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

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 LMNA 1374/4885TSHR 4176/4885SMN1; SMN2 524/4885

“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.