SCHEMBL9972246

SCHEMBL9972246

O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.59
GPR27 Q9NS67 1/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
PPIA P62937 1/20 0.57
SCN3A Q9NY46 2/20 0.57
SCN5A Q14524 1/20 0.57
SCN9A Q15858 1/20 0.57
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
RECQL P46063 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 2/20 0.54
ALOX12 P18054 1/20 0.54
HPGD P15428 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
SCHEMBL9974112 0.93 AVPR2 (0.59) AVPR2GPR27MEN1KMT2AALDH1A1
SCHEMBL1092055 0.92 AVPR2 (0.59) AVPR2GPR27MEN1KMT2AALDH1A1
SCHEMBL9974111 0.90 LMNA (0.57) AVPR2GPR27MEN1KMT2AALDH1A1
SCHEMBL9972237 0.89 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTSCN3A
SCHEMBL9972233 0.89 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTPPIA
SCHEMBL1091775 0.87 SCN3A (0.64) MEN1KMT2AALDH1A1MAPTSCN3A
SCHEMBL9972249 0.87 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTSCN3A
SCHEMBL9972239 0.87 PKM (0.65) MEN1KMT2AALDH1A1MAPTSCN3A
SCHEMBL1102103 0.87 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTSCN3A
SCHEMBL9974100 0.87 PKM (0.54) AVPR2GPR27MEN1KMT2AALDH1A1

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 AVPR2 1442/4885GPR27 1810/4885MEN1 2329/4885

“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.