SCHEMBL209291

SCHEMBL209291

COc1ccc2[nH]c(C(S)c3ccc(C(=O)Nc4ccccc4O[Si](C)(C)C(C)(C)C)cc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STK33 Q9BYT3 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
AHR P35869 1/20 0.39
F10 P00742 1/20 0.39
HDAC1 Q13547 2/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
COMT P21964 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL211176 0.85 APP (0.46) STK33NPC1RAB9AMEN1KMT2A
SCHEMBL1065500 0.84 HDAC1 (0.55) STK33NPC1RAB9AMEN1KMT2A
SCHEMBL209292 0.80 HDAC1 (0.63) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1066308 0.78 HDAC1 (0.42) STK33NPC1RAB9AMEN1KMT2A
SCHEMBL1065417 0.76 MLKL (0.47) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL210719 0.74 HDAC1 (0.52) HDAC1
SCHEMBL2734575 0.74 HDAC1 (0.72) ALDH1A1LMNAHDAC1
SCHEMBL1060856 0.69 HDAC1 (0.59) STK33NPC1RAB9APKMSMN1; SMN2
SCHEMBL1063186 0.69 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL212875 0.68 HDAC1 (0.47) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
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 STK33 2202/4885NPC1 1293/4885RAB9A 3036/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 STK33 2487/4885NPC1 1178/4885RAB9A 3239/4885

“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.