SCHEMBL4170376

SCHEMBL4170376

O=C(CCCC1CCCCC1)NO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.55
HDAC1 Q13547 10/20 0.55
HDAC2 Q92769 10/20 0.55
HDAC8 Q9BY41 10/20 0.55
HDAC6 Q9UBN7 10/20 0.55
HDAC10 Q969S8 9/20 0.55
HDAC11 Q96DB2 9/20 0.55
NCOR2 Q9Y618 1/20 0.55
HDAC5 Q9UQL6 9/20 0.54
HDAC4 P56524 8/20 0.54
HDAC7 Q8WUI4 8/20 0.54
HDAC9 Q9UKV0 8/20 0.54
HPGD P15428 1/20 0.52
P2RX7 Q99572 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NAAA Q02083 1/20 0.48
TNKS2 Q9H2K2 1/20 0.46
GLA P06280 1/20 0.46
KDM5A P29375 1/20 0.45

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
SCHEMBL29756120 0.98 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22190364 0.94 HDAC1 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4167123 0.88 HPGD (0.66) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4173154 0.85 HPGD (0.62) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5528083 0.82 HPGD (0.50) HPGDP2RX7NPC1RAB9ANAAA
SCHEMBL8391858 0.82 NPC1 (0.50) HPGDP2RX7NPC1RAB9ANAAA
SCHEMBL8353488 0.82 NPC1 (0.50) HPGDP2RX7NPC1RAB9ANAAA
SCHEMBL24673607 0.81 HPGD (0.79) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8290227 0.81 GLA (0.57) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19255255 0.81 HPGD (0.79) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566116-B Novel metal complex, process for producing the same, and process for producing gamma-lactam compound using the same 基础科学研究院 2023-06-09 CN disclosed
CN-111566116-A Novel metal complex, method for producing same, and method for producing gamma-lactam compound using same 基础科学研究院 2020-08-21 CN disclosed
US-8227516-B2 Compounds as histone deacetylase inhibitors 4SC DISCOVERY GMBH (DE) 2012-07-24 US disclosed
US-8227516-B2 Compounds as histone deacetylase inhibitors 4SC DISCOVERY GMBH (DE) 2012-07-24 US disclosed
US-8227516-B2 Compounds as histone deacetylase inhibitors 4SC DISCOVERY GMBH (DE) 2012-07-24 US disclosed
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES US ARMY, SECRETARY OF THE ARMY 2012-05-31 US disclosed
US-20090088478-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS 4SC DISCOVERY GMBH (DE) 2009-04-02 US disclosed
US-20090088478-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS 4SC DISCOVERY GMBH (DE) 2009-04-02 US disclosed
US-20090088478-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS 4SC DISCOVERY GMBH (DE) 2009-04-02 US disclosed
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 US disclosed
WO-2008089439-A2 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2008-07-24 WO disclosed
US-20050176686-A1 Novel compounds as histone deacetylase inhibitors 4SC AG (DE) 2005-08-11 US disclosed
EP-1523470-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2005-04-20 EP disclosed
WO-2004009536-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2004-01-29 WO disclosed
WO-2004009536-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2004-01-29 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 (3 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-20050176686-A1 Novel compounds as histone deacetylase inhibitors HDAC3, HDAC1, HDAC2 HDAC3 1/4885HDAC1 2/4885HDAC2 3/4885
US-20090088478-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC5 HDAC3 7/4885HDAC1 1/4885HDAC2 5/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 HDAC3 43/4885HDAC1 32/4885HDAC2 44/4885

“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.