SCHEMBL2733797

SCHEMBL2733797

CC(C)(C)c1nccc(-c2cccs2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
KDM4E B2RXH2 10/20 0.58
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HPGD P15428 5/20 0.54
GAA P10253 4/20 0.54
GLA P06280 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 2/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
MAPT P10636 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 7/20 0.51
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP19A1 P11511 1/20 0.44
HCRTR1 O43613 1/20 0.44

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
SCHEMBL13610287 0.77 KDM4E (0.66) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL9438552 0.74 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL2345970 0.74 ALDH1A1 (0.69) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL14204220 0.74 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL623986 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL3225225 0.74 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL1536347 0.74 KDM4E (0.64) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL8349996 0.73 KDM4E (0.58) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL2759540 0.73 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7469184 0.73 SYK (0.54) ALDH1A1KDM4EMEN1KMT2AHPGD

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 5 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ALDH1A1 680/4885KDM4E 258/4885MEN1 2386/4885

“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.