SCHEMBL210489

SCHEMBL210489

CCN(C(=O)Oc1ccc2nc(NCc3ccc(C(=O)Nc4ccccc4NC(=O)OC(C)(C)C)cc3)sc2c1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.56
AURKB Q96GD4 12/20 0.51
LRRK2 Q5S007 3/20 0.46
SCD O00767 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL210488 0.85 HDAC1 (0.64) HDAC1AURKB
SCHEMBL2733780 0.79 HDAC1 (0.61) HDAC1SCDALDH1A1SMN1; SMN2
SCHEMBL210833 0.79 AURKB (0.60) HDAC1AURKBSCDSMN1; SMN2
SCHEMBL211650 0.79 HDAC1 (0.60) HDAC1SCD
SCHEMBL209892 0.78 HDAC1 (0.68) HDAC1AURKB
SCHEMBL212264 0.78 HDAC1 (0.61) HDAC1AURKBSCDSMN1; SMN2
SCHEMBL210651 0.78 HDAC1 (0.64) HDAC1SCDMEN1ALDH1A1KMT2A
SCHEMBL2733518 0.77 HDAC1 (0.58) HDAC1SCD
SCHEMBL211848 0.75 HDAC1 (0.56) HDAC1SCDMEN1ALDH1A1KMT2A
SCHEMBL211110 0.74 HDAC1 (0.80) HDAC1AURKB

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 HDAC1 1/4885AURKB 296/4885LRRK2 3059/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885AURKB 425/4885LRRK2 3604/4885

“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.