SCHEMBL4740079

SCHEMBL4740079

COC(=O)c1ccc(Cn2cc3cc(OC)c(OC)cc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 2/20 0.46
GLA P06280 1/20 0.46
FAAH O00519 1/20 0.46
ERBB2 P04626 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NLRP3 Q96P20 1/20 0.43
MAPK10 P53779 1/20 0.43
P2RX7 Q99572 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL4740073 0.89 PDGFRB (0.49) GAAKMT2AERBB2SMN1; SMN2MAPT
SCHEMBL8153522 0.85 ERBB2 (0.45) KMT2AGLAERBB2SMN1; SMN2P2RX7
SCHEMBL23631952 0.82 GAA (0.48) GAARAB9AKMT2AFAAHSMN1; SMN2
SCHEMBL760076 0.82 CA1 (0.47) GAARAB9AKMT2AFAAHSMN1; SMN2
SCHEMBL654901 0.82 GAA (0.48) GAARAB9AKMT2AFAAHSMN1; SMN2
SCHEMBL12706998 0.82 CA1 (0.47) GAARAB9AKMT2AGLAFAAH
SCHEMBL25402366 0.81 HDAC6 (0.49) GAARAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL25402905 0.81 GAA (0.49) GAARAB9AKMT2AFAAHSMN1; SMN2
SCHEMBL3544162 0.80 HDAC2 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25403732 0.80 TP53 (0.47) GAARAB9AKMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741494-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-22 US disclosed
US-7741494-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-22 US disclosed
US-7732475-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-08 US disclosed
US-7732475-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-08 US disclosed
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-04-30 US disclosed
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-04-30 US disclosed
US-20090105485-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-04-23 US disclosed
WO-2008089436-A2 CRYSTALLINE FORMS OF HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-07-24 WO disclosed
WO-2008089436-A2 CRYSTALLINE FORMS OF HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-07-24 WO disclosed
US-20080119648-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-22 US disclosed
US-20080119648-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-22 US disclosed
US-20080119658-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-22 US disclosed
US-20080119658-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-22 US disclosed
US-20080114037-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-15 US disclosed
US-20080114037-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-15 US disclosed
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-08 US disclosed
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-08 US disclosed
WO-2007011626-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-01-25 WO disclosed
US-20070015809-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-01-18 US disclosed
US-20070015809-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-01-18 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 (7 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-20070015809-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 GAA 148/4885RAB9A 3623/4885KMT2A 66/4885
US-20080119658-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 GAA 148/4885RAB9A 3623/4885KMT2A 66/4885
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 GAA 148/4885RAB9A 3623/4885KMT2A 66/4885
US-20090105485-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 GAA 148/4885RAB9A 3623/4885KMT2A 66/4885
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 GAA 148/4885RAB9A 3623/4885KMT2A 66/4885
US-20080114037-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 GAA 148/4885RAB9A 3623/4885KMT2A 66/4885
US-20080119648-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 GAA 148/4885RAB9A 3623/4885KMT2A 66/4885

“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.