SCHEMBL210846

SCHEMBL210846

COC(=O)c1ccc(CSc2nc3ccc(NC(=O)NCCN4CCOCC4)cc3s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.61
GPR35 Q9HC97 2/20 0.53
GPR55 Q9Y2T6 1/20 0.53
TP53 P04637 4/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAPT P10636 7/20 0.52
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 1/20 0.52
ADRB2 P07550 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
ABL1 P00519 2/20 0.49
THRB P10828 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PRMT3 O60678 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL1064126 0.90 HDAC1 (0.71) HDAC1GPR35GPR55TP53RXFP1
SCHEMBL5584029 0.89 ABL1 (0.51) HDAC1TP53RXFP1MAPTLMNA
SCHEMBL211323 0.85 HDAC1 (0.85) HDAC1GPR35GPR55TP53RXFP1
SCHEMBL1066751 0.76 HDAC1 (1.00) HDAC1GPR35GPR55TP53RXFP1
SCHEMBL2733017 0.76 CYP1A2 (0.58) HDAC1TP53MAPTLMNAALDH1A1
SCHEMBL209386 0.76 MAPT (0.62) TP53MAPTLMNATHRBSMN1; SMN2
SCHEMBL14439016 0.73 CYP1A2 (0.62) TP53MAPTLMNAALDH1A1CYP3A4
SCHEMBL1060971 0.73 CYP1A2 (0.67) TP53MAPTLMNAALDH1A1CYP3A4
SCHEMBL2056328 0.72 CNR1 (0.73) TP53RXFP1MAPTLMNASMN1; SMN2
SCHEMBL1065942 0.69 HDAC1 (0.70) HDAC1TP53MAPTLMNATHRB

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 11 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-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
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO 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 1/4885GPR35 4491/4885GPR55 4562/4885

“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.