SCHEMBL5583466

SCHEMBL5583466

COc1ccc(CNc2nc3ccc(C(=O)O)cc3s2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.67
NPC1 O15118 2/20 0.67
HSD17B10 Q99714 2/20 0.66
MAPT P10636 4/20 0.54
GAA P10253 1/20 0.54
MAOB P27338 1/20 0.53
LMNA P02545 2/20 0.51
HDAC1 Q13547 1/20 0.51
KDM4E B2RXH2 3/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GSK3B P49841 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PPARG P37231 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
POLB P06746 1/20 0.48
NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL5583396 0.89 HSD17B10 (0.60) RAB9ANPC1HSD17B10MAPTLMNA
SCHEMBL212206 0.82 HDAC1 (0.75) RAB9ANPC1HDAC1KDM4EHTT
SCHEMBL24729350 0.81 KDM4E (0.75) RAB9ANPC1HSD17B10MAPTLMNA
SCHEMBL29947616 0.81 KDM4E (0.75) RAB9ANPC1HSD17B10MAPTLMNA
SCHEMBL27834920 0.80 RAB9A (1.00) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL5583477 0.77 HSD17B10 (0.61) HSD17B10HDAC1GSK3B
SCHEMBL19921646 0.77 HSD17B10 (0.60) RAB9ANPC1HSD17B10MAPTGAA
SCHEMBL8292762 0.77 HSD17B10 (0.67) HSD17B10MAOBHDAC1
SCHEMBL25410262 0.76 TMPRSS15 (0.66) RAB9ANPC1HSD17B10MAPTGAA
SCHEMBL5583220 0.76 RAB9A (0.64) RAB9ANPC1HSD17B10MAPTLMNA

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 RAB9A 3036/4885NPC1 1293/4885HSD17B10 860/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 RAB9A 3239/4885NPC1 1178/4885HSD17B10 824/4885

“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.