SCHEMBL5534011

SCHEMBL5534011

Cc1cc(O)c(Cl)c2sc(N)nc12

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
HSD17B10 Q99714 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
NSD1 Q96L73 2/20 0.39
PDPK1 O15530 1/20 0.38
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NSD2 O96028 1/20 0.35
NSD3 Q9BZ95 1/20 0.35
LMNA P02545 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
CSNK2A1 P68400 1/20 0.33

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
SCHEMBL1266791 0.83 HTT (1.00) HTTHSD17B10SMN1; SMN2ALDH1A1GAA
Hydrochloric Acid SCHEMBL5535871 0.81 HTT (0.97) HTTHSD17B10SMN1; SMN2ALDH1A1GAA
SCHEMBL20319144 0.80 HTT (0.45) HTTSMN1; SMN2ALDH1A1NSD1PDPK1
SCHEMBL6057919 0.78 HTT (0.51) HTTHSD17B10SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL14283722 0.76 HTT (0.65) HTTHSD17B10SMN1; SMN2ALDH1A1GAA
SCHEMBL5533851 0.75 HTT (0.82) HTTHSD17B10SMN1; SMN2ALDH1A1GAA
Water SCHEMBL5534647 0.74 HTT (0.80) HTTHSD17B10SMN1; SMN2ALDH1A1GAA
SCHEMBL5535705 0.73 HTT (0.71) HTTHSD17B10SMN1; SMN2ALDH1A1GAA
SCHEMBL11686502 0.73 HTT (0.71) HTTHSD17B10SMN1; SMN2ALDH1A1GAA
SCHEMBL27051946 0.72 HTT (0.51) HTTHSD17B10SMN1; SMN2ALDH1A1GAA

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 HTT 1/4885HSD17B10 3601/4885SMN1; SMN2 36/4885
US-20050124631-A1 Inhibitors of polyq-aggregation HTT, ATXN2, ATXN2L HTT 1/4885HSD17B10 3601/4885SMN1; SMN2 36/4885

“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.