SCHEMBL214248

SCHEMBL214248

CN(C)C=Nc1ccc2nc(SCc3ccc(C(=O)O)cc3)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
PKM P14618 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GFER P55789 1/20 0.47
TP53 P04637 2/20 0.46
LMNA P02545 5/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
FFAR1 O14842 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL210098 0.89 CYP1A2 (0.53) MAPTPKMCTDSP1ALDH1A1HPGD
SCHEMBL210097 0.89 CYP1A2 (0.53) MAPTPKMCTDSP1ALDH1A1HPGD
SCHEMBL2759529 0.86 MAPT (0.44) MAPTPKMCTDSP1ALDH1A1NPC1
SCHEMBL209426 0.83 HDAC1 (0.68) MAPTPKMCTDSP1ALDH1A1NPC1
SCHEMBL2733568 0.80 MAPT (0.61) MAPTPKMCTDSP1ALDH1A1HPGD
SCHEMBL211621 0.75 MAPT (0.67) MAPTPKMCTDSP1ALDH1A1HPGD
SCHEMBL214247 0.75 RAB9A (0.37) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL10687158 0.74 NPC1 (0.79) MAPTPKMCTDSP1ALDH1A1HPGD
SCHEMBL10272774 0.70 MAPT (0.53) MAPTPKMCTDSP1ALDH1A1HPGD
SCHEMBL9042870 0.69 MAPT (0.56) MAPTPKMCTDSP1ALDH1A1HPGD

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 MAPT 3612/4885PKM 2290/4885CTDSP1 441/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 MAPT 3905/4885PKM 2711/4885CTDSP1 493/4885

“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.