SCHEMBL5532426

SCHEMBL5532426

COc1cc(C)c2nc(N)sc2c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
CYP3A4 P08684 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 5/20 0.38
GAA P10253 3/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL27051948 0.81 HTT (0.48) HTTCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL11686502 0.80 HTT (0.71) HTTCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL5533854 0.80 HTT (0.54) HTTCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL30189863 0.79 CYP3A4 (0.56) HTTCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL18416893 0.79 CYP3A4 (0.56) HTTCYP3A4TDP1HSD17B10SMN1; SMN2
Water SCHEMBL5534651 0.79 HTT (0.52) HTTCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL5532430 0.79 HPGD (0.38) HTTHSD17B10SMN1; SMN2ALDH1A1GAA
SCHEMBL19782965 0.78 CYP3A4 (0.54) HTTCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL20319260 0.78 HTT (0.67) HTTCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL20305626 0.78 HTT (0.46) HTTCYP3A4TDP1HSD17B10SMN1; SMN2

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 1/4885CYP3A4 4340/4885TDP1 24/4885
US-20050124631-A1 Inhibitors of polyq-aggregation HTT, ATXN2, ATXN2L HTT 1/4885CYP3A4 4340/4885TDP1 24/4885

“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.