SCHEMBL209125

SCHEMBL209125

COc1ccc(CNc2ccc3oc(C(=O)Nc4ccccc4N)cc3c2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
TSHR P16473 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC1 Q13547 6/20 0.52
HDAC2 Q92769 1/20 0.52
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 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
SCHEMBL212028 0.86 HDAC4 (0.57) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL1080617 0.84 HDAC1 (0.71) TP53HDAC1HDAC2RAB9ANPC1
SCHEMBL2733675 0.83 DHFR (0.50) TP53KDM4EMAPTMEN1KMT2A
SCHEMBL5583397 0.83 DHFR (0.53) TP53MEN1KMT2A
SCHEMBL1065598 0.83 HDAC1 (0.71) TP53HDAC1HDAC2RAB9ANPC1
SCHEMBL13390608 0.81 HDAC1 (0.60) TP53HDAC1HDAC2RAB9ANPC1
SCHEMBL210033 0.80 HDAC1 (0.47) TP53TSHRHDAC1HDAC2RAB9A
SCHEMBL212351 0.79 HDAC1 (0.71) HDAC1HDAC2RAB9ANPC1SMN1; SMN2
SCHEMBL210696 0.75 HDAC1 (0.56) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL4917286 0.74 TP53 (0.67) TP53TSHRKDM4EALDH1A1HPGD

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 8 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
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 TP53 86/4885TSHR 4130/4885KDM4E 258/4885

“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.