SCHEMBL1064807

SCHEMBL1064807

C=CC(=O)Nc1cccc(N)c1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPK3 P27361 2/20 0.38
GRM6 O15303 1/20 0.37
TGM2 P21980 6/20 0.36
F13A1 P00488 1/20 0.36
TGM1 P22735 1/20 0.36
CISD2 Q8N5K1 1/20 0.36
BTK Q06187 5/20 0.36
JAK3 P52333 2/20 0.36
TEC P42680 1/20 0.35
TXK P42681 1/20 0.35
BMX P51813 1/20 0.35
ITK Q08881 1/20 0.35

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
SCHEMBL6131099 0.82 MAPK3 (0.40) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL2730411 0.78 GRM6 (0.49) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL16680460 0.75 THRB (0.40) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL1064806 0.75 TGM2 (0.46) ALDH1A1MAPK3TGM2F13A1TGM1
SCHEMBL29352309 0.75 TGM2 (0.46) ALDH1A1MAPK3TGM2F13A1TGM1
SCHEMBL16096123 0.74 TGM2 (0.47) TGM2F13A1TGM1BTKJAK3
SCHEMBL1064513 0.73 HDAC1 (0.45) KDM4EALDH1A1GLAMAPT
SCHEMBL2316517 0.73 TGM2 (0.55) TGM2PTPN1PTPN11
SCHEMBL29416535 0.73 TGM2 (0.55) TGM2PTPN1PTPN11
SCHEMBL2718238 0.72 CA12 (0.48) KDM4EALDH1A1GLAGAAMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1578663-B Histone deacetylase inhibitors METHYLGENE INC 2011-05-25 CN disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
CN-101851173-A Inhibitors of histone deacetylase METHYLGENE INC 2010-10-06 CN disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
CN-100540547-C Inhibitors of histone deacetylase METHYLGENE INC (CA) 2009-09-16 CN disclosed
CN-1723207-A Histone deacetylase inhibitors METHYLGENE INC (CA) 2006-01-18 CN disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
CN-1578663-A Histone deacetylase inhibitors METHYLGENE INC (CA) 2005-02-09 CN disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 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-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 KDM4E 123/4885ALDH1A1 796/4885GLA 402/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 KDM4E 123/4885ALDH1A1 796/4885GLA 402/4885

“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.