SCHEMBL9972271

SCHEMBL9972271

O=C(CN1CCCc2c(Cl)cccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
SCN3A Q9NY46 1/20 0.53
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
HCRTR1 O43613 1/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
PPARG P37231 1/20 0.52
HTT P42858 1/20 0.52
NCOA2 Q15596 1/20 0.52
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
PKM P14618 2/20 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
SCHEMBL1091209 0.86 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1092015 0.83 AVPR2 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9972185 0.83 SCN3A (0.61) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9972267 0.82 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9972266 0.80 PKM (0.56) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9972264 0.80 PKM (0.56) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9972260 0.80 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9972210 0.80 AVPR2 (0.57) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9972228 0.79 PKM (0.61) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9972214 0.78 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1KDM4E

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-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 MEN1 2329/4885KMT2A 3111/4885MAPT 1883/4885

“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.