SCHEMBL3537167

SCHEMBL3537167

O=S(=O)(NCCc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
GAA P10253 3/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.48
CSNK2A2 P19784 2/20 0.47
CSNK2B P67870 2/20 0.47
CSNK2A1 P68400 2/20 0.47
CSNK2A3 Q8NEV1 2/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
NOD1 Q9Y239 1/20 0.44
THRB P10828 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL13405875 0.87 GAA (0.67) LMNAGAAKMT2ASMN1; SMN2HTT
SCHEMBL22633565 0.84 GAA (0.61) LMNAGAAKMT2ASMN1; SMN2MAPK1
SCHEMBL13406150 0.82 SMN1; SMN2 (0.52) LMNAGAAKMT2ASMN1; SMN2MAPT
SCHEMBL22650873 0.82 SMN1; SMN2 (0.77) LMNAGAAKMT2ASMN1; SMN2HTT
SCHEMBL22650871 0.79 GAA (0.72) LMNAGAAKMT2ASMN1; SMN2MAPT
SCHEMBL23649505 0.76 KCNA5 (0.60) LMNAGAAKMT2ASMN1; SMN2MAPT
SCHEMBL13405871 0.74 MAPT (0.76) LMNAGAASMN1; SMN2MAPTPKM
SCHEMBL12768589 0.74 GAA (0.77) LMNAGAAKMT2ASMN1; SMN2PKM
SCHEMBL13762620 0.73 HDAC1 (0.65) KMT2APOLB
SCHEMBL2951701 0.73 CYP19A1 (0.71) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705031-B2 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-27 US disclosed
US-7705031-B2 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-27 US disclosed
US-7705031-B2 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-27 US disclosed
US-20080306129-A1 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
US-20080306129-A1 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
US-20080306129-A1 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
US-7309716-B2 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-18 US disclosed
US-7309716-B2 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-18 US disclosed
US-7309716-B2 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-18 US disclosed
EP-1678145-A2 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2006-07-12 EP disclosed
US-20050209282-A1 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2005-09-22 US disclosed
WO-2005042497-A2 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS, INCORPORATED (US) 2005-05-12 WO 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 (2 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-20050209282-A1 Benzimidazoles useful as modulators of ion channels KCNJ11, KCNJ1, KCNJ2 LMNA 2494/4885GAA 1478/4885KMT2A 1737/4885
US-20080306129-A1 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS KCNJ11, KCNJ1, KCNJ2 LMNA 2494/4885GAA 1478/4885KMT2A 1737/4885

“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.