SCHEMBL5583396

SCHEMBL5583396

COc1cc(CNc2nc3ccc(C(=O)O)cc3s2)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.60
CSNK1D P48730 4/20 0.56
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HDAC1 Q13547 1/20 0.48
GSK3B P49841 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SCD O00767 1/20 0.46

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
SCHEMBL5583466 0.89 RAB9A (0.67) HSD17B10MAPTRAB9ANPC1ALDH1A1
SCHEMBL211970 0.82 HDAC1 (0.72) CSNK1DMAPTRAB9ANPC1MEN1
SCHEMBL19921646 0.77 HSD17B10 (0.60) HSD17B10MAPTRAB9ANPC1ALDH1A1
SCHEMBL25410262 0.76 TMPRSS15 (0.66) HSD17B10MAPTRAB9ANPC1MEN1
SCHEMBL5583220 0.76 RAB9A (0.64) HSD17B10CSNK1DMAPTRAB9ANPC1
SCHEMBL5583477 0.75 HSD17B10 (0.61) HSD17B10CSNK1DHDAC1GSK3B
SCHEMBL8292762 0.75 HSD17B10 (0.67) HSD17B10CSNK1DHDAC1SCD
SCHEMBL1064845 0.74 RAB9A (0.49) HSD17B10CSNK1DMAPTRAB9ANPC1
SCHEMBL29947616 0.74 KDM4E (0.75) HSD17B10MAPTRAB9ANPC1MEN1
SCHEMBL24729350 0.74 KDM4E (0.75) HSD17B10MAPTRAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HSD17B10 860/4885CSNK1D 1626/4885MAPT 3612/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HSD17B10 824/4885CSNK1D 1876/4885MAPT 3905/4885

“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.