SCHEMBL2733780

SCHEMBL2733780

Cc1ccc2nc(NCc3ccc(C(=O)Nc4ccccc4NC(=O)OC(C)(C)C)cc3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.61
LCK P06239 10/20 0.55
MAP3K5 Q99683 1/20 0.55
SCD O00767 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CSNK1D P48730 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
KLK7 P49862 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL211650 0.92 HDAC1 (0.60) HDAC1LCKSCD
SCHEMBL210651 0.91 HDAC1 (0.64) HDAC1LCKSCDNPC1RAB9A
SCHEMBL211848 0.88 HDAC1 (0.56) HDAC1LCKSCDNPC1RAB9A
SCHEMBL212264 0.87 HDAC1 (0.61) HDAC1LCKSCDSMN1; SMN2TP53
SCHEMBL2733518 0.87 HDAC1 (0.58) HDAC1LCKSCDCSNK1D
SCHEMBL210833 0.85 AURKB (0.60) HDAC1LCKSCDSMN1; SMN2TP53
SCHEMBL2733826 0.85 HDAC1 (0.79) HDAC1MAP3K5
SCHEMBL209892 0.82 HDAC1 (0.68) HDAC1
SCHEMBL5584436 0.81 KMT2A (0.51) HDAC1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL210488 0.80 HDAC1 (0.64) 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 3 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

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 1/4885LCK 1674/4885MAP3K5 979/4885

“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.