SCHEMBL1962018

SCHEMBL1962018

OCCn1cc(-c2ccccn2)nn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
L3MBTL1 Q9Y468 4/20 0.57
DPP4 P27487 1/20 0.51
MIF P14174 1/20 0.50
FLT3 P36888 4/20 0.48
GSK3B P49841 1/20 0.48
KDM4E B2RXH2 4/20 0.47
KDM5C P41229 3/20 0.47
KDM2A Q9Y2K7 3/20 0.47
KDM3A Q9Y4C1 3/20 0.47

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
SCHEMBL18561913 0.85 L3MBTL1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31231324 0.84 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15451914 0.84 L3MBTL1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29131546 0.81 MAPT (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27908768 0.81 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27129877 0.81 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL461444 0.81 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15447135 0.80 DPP4 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17443233 0.80 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27130016 0.80 L3MBTL1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107602620-B Novel iridium-based complexes for ECL 霍夫曼-拉罗奇有限公司 2020-08-28 CN disclosed
EP-2882764-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-03-01 EP disclosed
US-9399654-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2016-07-26 US disclosed
EP-2882764-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL Roche Diagnostics GmbH (DE) 2015-06-17 EP disclosed
US-20150147750-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2015-05-28 US disclosed
WO-2014019708-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2014-02-06 WO disclosed
US-20130004986-A1 Use of luminescent Ir(III) and Ru(II) complexes WESTFAELISCHE WILHELMS-UNIVERITAET MUENSTER (DE) 2013-01-03 US disclosed
EP-2507339-A1 USE OF LUMINESCENT IR(III) AND RU(II) COMPLEXES Westfälische Wilhelms-Universität Münster (DE) 2012-10-10 EP disclosed
WO-2011067401-A1 USE OF LUMINESCENT IR(III) AND RU(II) COMPLEXES Westfälische Wilhelms-Universität Münster (DE) 2011-06-09 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-20150147750-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ALPL, ALDH1A3, SOD3 HDAC3 3283/4885HDAC4 4589/4885HDAC1 4025/4885

“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.