SCHEMBL1102269

SCHEMBL1102269

O=C(CCn1ccc2c(Cl)cccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PKM P14618 1/20 0.58
MAPT P10636 3/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
HCRTR1 O43613 1/20 0.57
USP2 O75604 1/20 0.57
PPARG P37231 1/20 0.57
HTT P42858 1/20 0.57
NCOA2 Q15596 1/20 0.57
NCOA1 Q15788 1/20 0.57
NCOA3 Q9Y6Q9 1/20 0.57
SCN3A Q9NY46 3/20 0.55
SCN5A Q14524 1/20 0.55
SCN9A Q15858 1/20 0.55
ALOX12 P18054 1/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53

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
SCHEMBL9972245 0.92 MAPT (0.60) LMNATSHRSMN1; SMN2PKMMAPT
SCHEMBL1105410 0.90 MEN1 (0.64) LMNATSHRSMN1; SMN2PKMMAPT
SCHEMBL1102130 0.90 PKM (0.59) LMNATSHRSMN1; SMN2PKMMAPT
SCHEMBL9972277 0.86 LMNA (0.59) LMNATSHRSMN1; SMN2PKMMAPT
SCHEMBL1102121 0.86 PKM (0.64) LMNATSHRSMN1; SMN2PKMMAPT
SCHEMBL1102029 0.85 LMNA (0.60) LMNATSHRSMN1; SMN2PKMMAPT
SCHEMBL1092055 0.83 AVPR2 (0.59) LMNATSHRSMN1; SMN2PKMMAPT
SCHEMBL1102270 0.83 AVPR2 (0.59) LMNATSHRSMN1; SMN2PKMMAPT
SCHEMBL1102268 0.82 PKM (0.61) LMNATSHRSMN1; SMN2PKMMAPT
SCHEMBL9972232 0.81 MEN1 (0.62) LMNATSHRSMN1; SMN2PKMMAPT

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 LMNA 1374/4885TSHR 4176/4885SMN1; SMN2 524/4885
US-20060025415-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.