SCHEMBL211640

SCHEMBL211640

COC(=O)c1nc2cc(NCc3ccc(OC)c(OC)c3)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.53
▸ KDR P35968 2/20 0.52
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ USP2 O75604 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 4/20 0.50
▸ GAA P10253 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 4/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ DHFR P00374 2/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 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
SCHEMBL5583228 0.83 DHFR (0.54) RAB9AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL2732976 0.82 HDAC1 (0.66) KDRPTGS2L3MBTL1
SCHEMBL2759500 0.81 RAB9A (0.54) RAB9AKDRALDH1A1KDM4ESMN1; SMN2
SCHEMBL1064412 0.79 L3MBTL1 (0.53) RAB9AALDH1A1KDM4EPOLBGAA
SCHEMBL210060 0.74 HDAC1 (0.66) MAPTDHFRL3MBTL1
SCHEMBL3560484 0.74 LMNA (0.56) RAB9AALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL15668316 0.73 EGFR (0.67) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL21697974 0.72 L3MBTL1 (0.53) RAB9AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL26654543 0.72 RAB9A (0.50) RAB9AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6484790 0.71 MAPT (0.57) RAB9AALDH1A1KDM4ESMN1; SMN2HPGD

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 12 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-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
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 — — US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 — — WO 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 (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 RAB9A 3036/4885KDR 3881/4885ALDH1A1 680/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 RAB9A 3239/4885KDR 4081/4885ALDH1A1 758/4885

“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.

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