SCHEMBL9972227

SCHEMBL9972227

O=C(CN1CCc2ccccc2C1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.61
PKM P14618 3/20 0.59
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.53
GFER P55789 1/20 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
SCHEMBL9972225 0.86 ALDH1A1 (0.65) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9972185 0.85 SCN3A (0.61) SCN3APKMLMNATSHRSMN1; SMN2
SCHEMBL1102023 0.85 KMT2A (0.57) LMNATSHRMEN1KMT2AALDH1A1
SCHEMBL15113536 0.84 TSHR (0.66) SCN3APKMLMNATSHRSMN1; SMN2
SCHEMBL15113539 0.83 ALDH1A1 (0.66) SCN3APKMLMNATSHRSMN1; SMN2
SCHEMBL15113551 0.83 ALDH1A1 (0.66) SCN3APKMLMNATSHRSMN1; SMN2
SCHEMBL9972272 0.82 SCN3A (0.57) SCN3APKMLMNATSHRSMN1; SMN2
SCHEMBL1091209 0.82 MEN1 (0.64) SCN3APKMLMNATSHRSMN1; SMN2
SCHEMBL9974117 0.82 SCN3A (0.59) SCN3APKMLMNATSHRSMN1; SMN2
SCHEMBL15113537 0.82 ALDH1A1 (0.66) SCN3APKMLMNATSHRSMN1; SMN2

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 SCN3A 17/4885PKM 4054/4885LMNA 1374/4885

“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.