SCHEMBL210833

SCHEMBL210833

CN(C)CCOc1ccc2nc(NCc3ccc(C(=O)Nc4ccccc4NC(=O)OC(C)(C)C)cc3)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 6/20 0.60
HDAC1 Q13547 5/20 0.59
CACNA1B Q00975 2/20 0.51
SCD O00767 3/20 0.49
CACNA1H O95180 1/20 0.49
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LCK P06239 2/20 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
SCHEMBL212264 0.91 HDAC1 (0.61) AURKBHDAC1SCDTP53MAPT
SCHEMBL210479 0.88 HDAC1 (0.77) AURKBHDAC1CACNA1BSCDCACNA1H
SCHEMBL209892 0.86 HDAC1 (0.68) AURKBHDAC1
SCHEMBL2733780 0.85 HDAC1 (0.61) HDAC1SCDTP53SMN1; SMN2LCK
SCHEMBL211650 0.85 HDAC1 (0.60) HDAC1SCDLCK
SCHEMBL210651 0.84 HDAC1 (0.64) HDAC1SCDSMN1; SMN2LCK
SCHEMBL2733518 0.83 HDAC1 (0.58) HDAC1SCDLCK
SCHEMBL2666845 0.82 LMNA (0.62) AURKBSCDTP53MAPTSMN1; SMN2
SCHEMBL211848 0.81 HDAC1 (0.56) HDAC1SCDMAPTSMN1; SMN2LCK
SCHEMBL1067284 0.81 AURKB (0.71) AURKBHDAC1CACNA1BSCDCACNA1H

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 4 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
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (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 AURKB 296/4885HDAC1 1/4885CACNA1B 4649/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 AURKB 425/4885HDAC1 1/4885CACNA1B 4644/4885

“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.