SCHEMBL211104

SCHEMBL211104

COc1ccc(-c2ccnc(SCc3ccc4oc(C(=O)Nc5ccccc5N)cc4c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC3 O15379 3/20 0.49
NCOR1 O75376 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
MAPT P10636 4/20 0.43
RXFP1 Q9HBX9 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL210511 0.86 HDAC1 (0.67) HDAC1HDAC2HDAC3NCOR1SMN1; SMN2
SCHEMBL5583241 0.84 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KDM4EHPGDGAA
SCHEMBL1065533 0.77 HDAC1 (0.66) HDAC1HDAC2HDAC3NCOR1SMN1; SMN2
SCHEMBL28637103 0.73 HDAC1 (0.67) HDAC1HDAC2HDAC3NCOR1HDAC4
SCHEMBL212106 0.72 HDAC1 (0.80) HDAC1HDAC2HDAC3NCOR1HDAC11
SCHEMBL209840 0.71 MAPT (0.61) SMN1; SMN2ALDH1A1KDM4EHPGDGAA
SCHEMBL253049 0.71 HDAC1 (0.70) HDAC1HDAC2HDAC3NCOR1HDAC4
SCHEMBL210526 0.70 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1KDM4EHPGDGAA
SCHEMBL23962939 0.70 HDAC1 (0.59) HDAC1HDAC2HDAC3NCOR1HDAC4
SCHEMBL211094 0.69 HDAC1 (0.76) HDAC1SMN1; SMN2ALDH1A1KDM4EHDAC4

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 7 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-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
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 HDAC1 1/4885HDAC2 10/4885HDAC3 4/4885

“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.