SCHEMBL5534541

SCHEMBL5534541

COC(=O)c1ccc(C(=O)Nc2nc3ccc(C(=O)Nc4ccccc4)cc3s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 1.00
SCD O00767 6/20 0.78
NPC1 O15118 7/20 0.68
RAB9A P51151 7/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
RXFP1 Q9HBX9 1/20 0.68
PIK3CA P42336 1/20 0.63
PIK3CB P42338 1/20 0.63
PIK3CG P48736 1/20 0.63
PI4KB Q9UBF8 1/20 0.63
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
LCK P06239 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
LRRK2 Q5S007 1/20 0.59
HSP90AA1 P07900 1/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
DYRK1A Q13627 1/20 0.58

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
SCHEMBL14807050 0.88 HTT (0.79) HTTSCDNPC1RAB9AMEN1
SCHEMBL16562171 0.87 SCD (1.00) HTTSCDNPC1RAB9AMEN1
SCHEMBL31398564 0.85 SCD (0.76) HTTSCDNPC1RAB9AMEN1
SCHEMBL21772299 0.85 SCD (0.76) HTTSCDNPC1RAB9AMEN1
SCHEMBL16562167 0.84 SCD (0.79) HTTSCDNPC1RAB9AMEN1
SCHEMBL16554101 0.83 HTT (0.71) HTTSCDNPC1RAB9AMEN1
SCHEMBL14807016 0.83 SCD (0.77) HTTSCDNPC1RAB9AMEN1
SCHEMBL4919654 0.82 SCD (0.88) HTTSCDNPC1RAB9AMEN1
SCHEMBL4912185 0.82 SCD (0.73) HTTSCDNPC1RAB9AMEN1
SCHEMBL6068125 0.81 ABL1 (0.69) HTTNPC1RAB9AMEN1KMT2A

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-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
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

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 HTT 1/4885SCD 3515/4885NPC1 1218/4885
US-20050124631-A1 Inhibitors of polyq-aggregation HTT, ATXN2, ATXN2L HTT 1/4885SCD 3515/4885NPC1 1218/4885

“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.