SCHEMBL9974111

SCHEMBL9974111

O=C(Cn1ccc2cc(Cl)c(Cl)cc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
SCN3A Q9NY46 2/20 0.56
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
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.54
PKM P14618 2/20 0.54
SCN5A Q14524 1/20 0.54
SCN9A Q15858 1/20 0.54
PPIA P62937 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
SCHEMBL9974100 0.93 PKM (0.54) LMNATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL1102029 0.92 LMNA (0.60) LMNATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL9972246 0.90 AVPR2 (0.59) LMNATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL9974112 0.90 AVPR2 (0.59) LMNATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL9974113 0.86 PKM (0.58) LMNATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL12522877 0.86 ALDH1A1 (0.62) LMNATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL9972237 0.86 MEN1 (0.58) LMNATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL9974115 0.86 MEN1 (0.58) LMNATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL9972233 0.86 ALDH1A1 (0.62) LMNATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL1102118 0.86 LMNA (0.56) LMNATSHRSMN1; SMN2ALDH1A1MEN1

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 3 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-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

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 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.