SCHEMBL13148698

SCHEMBL13148698

O=C(Cn1ccc2ccccc21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
CTDSP1 Q9GZU7 2/20 0.46
BLM P54132 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
SCN3A Q9NY46 4/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
JAK2 O60674 1/20 0.44
SCN9A Q15858 1/20 0.43
POLB P06746 2/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL12710275 0.92 MEN1 (0.45) MEN1KMT2ACTDSP1BLMRXFP1
SCHEMBL14683513 0.88 MEN1 (0.47) CXCR3MEN1KMT2ACTDSP1SCN3A
SCHEMBL2626508 0.88 KMT2A (0.46) MEN1KMT2ACTDSP1BLMRXFP1
SCHEMBL12707610 0.87 MEN1 (0.44) MEN1KMT2ACTDSP1ALDH1A1SCN3A
SCHEMBL14683383 0.87 PKM (0.50) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2626547 0.87 SCN9A (0.46) MEN1KMT2ACTDSP1BLMRXFP1
SCHEMBL2626365 0.87 CXCR3 (0.48) CXCR3MEN1KMT2ACTDSP1BLM
SCHEMBL2626124 0.87 ALOX12 (0.47) MEN1KMT2ACTDSP1BLMRXFP1
SCHEMBL10310687 0.87 SCN3A (0.45) MEN1KMT2ACTDSP1BLMRXFP1
SCHEMBL10311235 0.87 SCN3A (0.45) MEN1KMT2ACTDSP1BLMRXFP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 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-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 CXCR3 1945/4885MEN1 2498/4885KMT2A 2855/4885

“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.