SCHEMBL211176

SCHEMBL211176

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
STK33 Q9BYT3 1/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 2/20 0.46
MEN1 O00255 2/20 0.46
F10 P00742 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HDAC1 Q13547 2/20 0.43
COMT P21964 1/20 0.42
PARP14 Q460N5 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SCD O00767 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL1065500 0.90 HDAC1 (0.55) STK33RAB9ANPC1KMT2APKM
SCHEMBL209291 0.85 STK33 (0.42) STK33RAB9ANPC1KMT2APKM
SCHEMBL1066308 0.84 HDAC1 (0.42) STK33RAB9ANPC1KMT2APKM
SCHEMBL1065417 0.81 MLKL (0.47) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL210719 0.78 HDAC1 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL211177 0.77 HDAC1 (0.71) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL1060856 0.74 HDAC1 (0.59) STK33RAB9ANPC1PKMHDAC1
SCHEMBL1063186 0.73 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL5221640 0.73 F10 (0.81) APPRAB9ANPC1KMT2APKM
SCHEMBL212875 0.73 HDAC1 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2

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 6 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
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 APP 4752/4885STK33 2202/4885RAB9A 3036/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 APP 4791/4885STK33 2487/4885RAB9A 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.