SCHEMBL5533752

SCHEMBL5533752

Nc1nc2ccc(Sc3ccc4nc(N)sc4c3)cc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.70
CYP3A4 P08684 3/20 0.62
RAB9A P51151 4/20 0.61
MAPT P10636 2/20 0.61
HTT P42858 2/20 0.61
AXL P30530 1/20 0.61
GFER P55789 1/20 0.61
GAA P10253 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PI4KA P42356 3/20 0.59
PI4KB Q9UBF8 3/20 0.59
PIK3CA P42336 2/20 0.59
PIK3CD O00329 2/20 0.59
PIP5K1C O60331 2/20 0.59
PIK3CG P48736 2/20 0.59
PIK3CB P42338 1/20 0.59
CYP1A2 P05177 2/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
SCN4A P35499 2/20 0.56

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
SCHEMBL7284884 0.91 CYP3A4 (0.67) KCNH2CYP3A4RAB9AMAPTHTT
SCHEMBL1913966 0.87 KCNH2 (0.64) KCNH2CYP3A4RAB9AMAPTHTT
SCHEMBL2488566 0.83 CYP3A4 (0.65) KCNH2CYP3A4RAB9AMAPTHTT
SCHEMBL614629 0.83 KCNH2 (0.59) KCNH2CYP3A4RAB9AMAPTHTT
SCHEMBL21709931 0.83 KCNH2 (0.63) KCNH2CYP3A4RAB9AMAPTHTT
SCHEMBL11098027 0.83 CYP3A4 (0.65) KCNH2CYP3A4RAB9AMAPTHTT
SCHEMBL2245983 0.83 KCNH2 (1.00) KCNH2CYP3A4RAB9AMAPTHTT
SCHEMBL10106162 0.83 KCNH2 (0.59) KCNH2CYP3A4RAB9AMAPTHTT
SCHEMBL21186214 0.81 CYP3A4 (0.56) KCNH2CYP3A4RAB9AMAPTHTT
SCHEMBL9722735 0.80 CYP3A4 (0.62) KCNH2CYP3A4RAB9AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259887-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2007-11-08 US claimed
EP-1416931-B1 INHIBITORS OF POLYQ-AGGREGATION MAX PLANCK GESELLSCHAFT (DE) 2007-06-13 EP claimed
US-20050124631-A1 Inhibitors of polyq-aggregation MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2005-06-09 US claimed
EP-1416931-A1 INHIBITORS OF POLYQ-AGGREGATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-05-12 EP claimed
WO-2003015772-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-02-27 WO claimed
US-20070259887-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2007-11-08 US disclosed
EP-1416931-B1 INHIBITORS OF POLYQ-AGGREGATION MAX PLANCK GESELLSCHAFT (DE) 2007-06-13 EP disclosed
US-20050124631-A1 Inhibitors of polyq-aggregation MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2005-06-09 US disclosed
EP-1416931-A1 INHIBITORS OF POLYQ-AGGREGATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-05-12 EP disclosed
WO-2003015772-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-02-27 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-20070259887-A1 INHIBITORS OF POLYQ-AGGREGATION HTT, ATXN2, ATXN2L KCNH2 1471/4885CYP3A4 4340/4885RAB9A 809/4885
US-20050124631-A1 Inhibitors of polyq-aggregation HTT, ATXN2, ATXN2L KCNH2 1471/4885CYP3A4 4340/4885RAB9A 809/4885

“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.