SCHEMBL13192596

SCHEMBL13192596

c1cc(-c2cnc(C3CCCN3)[nH]2)ccc1-c1ccc2nc(C3CCCN3)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.56
AAK1 Q2M2I8 3/20 0.41
USP30 Q70CQ3 3/20 0.40
NPY5R Q15761 3/20 0.39
PARP1 P09874 4/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CDC7 O00311 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
ROCK1 Q13464 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL10176719 1.00 SCN10A (0.56) SCN10AAAK1USP30NPY5RPARP1
SCHEMBL13192605 1.00 SCN10A (0.56) SCN10AAAK1USP30NPY5RPARP1
SCHEMBL10202379 1.00 SCN10A (0.56) SCN10AAAK1USP30NPY5RPARP1
SCHEMBL1294081 0.97 SCN10A (0.53) SCN10AAAK1USP30NPY5RPARP1
SCHEMBL1294078 0.97 SCN10A (0.53) SCN10AAAK1USP30NPY5RPARP1
SCHEMBL1293674 0.96 SCN10A (0.52) SCN10AAAK1USP30NPY5RPARP1
SCHEMBL1293677 0.96 SCN10A (0.52) SCN10AAAK1USP30NPY5RPARP1
SCHEMBL17948022 0.96 SCN10A (0.52) SCN10AAAK1USP30NPY5RPARP1
SCHEMBL1293567 0.93 SCN10A (0.54) SCN10AAAK1USP30NPY5RPARP1
SCHEMBL1293571 0.93 SCN10A (0.54) SCN10AAAK1USP30NPY5RPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258078-A1 ANTIVIRAL COMPOUNDS OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2012-10-11 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-20120258078-A1 ANTIVIRAL COMPOUNDS OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C HAVCR2, ZC3HAV1, EIF2AK2 SCN10A 4518/4885AAK1 4431/4885USP30 793/4885

“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.