SCHEMBL2720567

SCHEMBL2720567

ClCc1cccc(-c2ccccn2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.63
CCR1 P32246 3/20 0.63
CCR5 P51681 3/20 0.63
CCR8 P51685 3/20 0.63
LMNA P02545 3/20 0.63
TP53 P04637 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ALOX15 P16050 3/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
HTT P42858 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
ALPL P05186 1/20 0.63
HSP90AA1 P07900 1/20 0.63
ALPI P09923 1/20 0.63
ALPG P10696 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
METAP1 P53582 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL9356103 0.85 CCR1 (0.40) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL29595186 0.85 CCR1 (0.40) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL18769070 0.82 KDM4E (0.65) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL2085837 0.81 KDM4E (0.63) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL13596181 0.81 KDM4E (0.63) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL313802 0.81 KDM4E (0.63) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL15217633 0.81 KDM4E (0.63) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL14732968 0.81 KDM4E (0.63) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL20863011 0.81 KDM4E (0.63) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL24338402 0.80 KDM4E (0.57) KDM4ECCR1CCR5CCR8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2629889-B1 RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RES & DEV (IL) 2019-04-03 EP disclosed
EP-2629889-B1 RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RES & DEV (IL) 2019-04-03 EP disclosed
US-20170107251-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-04-20 US disclosed
US-20170107251-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-04-20 US disclosed
US-20170107251-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-04-20 US disclosed
US-20150284417-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-10-08 US disclosed
US-20150284417-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-10-08 US disclosed
US-20150284417-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-10-08 US disclosed
US-9045381-B2 Ruthenium complexes and their uses in processes for formation and/or hydrogenation of esters, amides and derivatives thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-06-02 US disclosed
US-9045381-B2 Ruthenium complexes and their uses in processes for formation and/or hydrogenation of esters, amides and derivatives thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-06-02 US disclosed
US-9045381-B2 Ruthenium complexes and their uses in processes for formation and/or hydrogenation of esters, amides and derivatives thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-06-02 US disclosed
US-20130281664-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-10-24 US disclosed
US-20130281664-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-10-24 US disclosed
US-20130281664-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-10-24 US disclosed
EP-2629889-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF Yeda Research and Development Co. Ltd. (IL) 2013-08-28 EP disclosed
WO-2012052996-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-04-26 WO disclosed
WO-2012052996-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-04-26 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-20170107251-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF ADH1C, ADH5, ADH1A KDM4E 3496/4885CCR1 2191/4885CCR5 1796/4885
US-20150284417-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF ADH1C, ADH5, ADH1A KDM4E 3496/4885CCR1 2191/4885CCR5 1796/4885
US-20130281664-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF ADH5, ADH1C, ADH1A KDM4E 2909/4885CCR1 2889/4885CCR5 2731/4885

“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.