SCHEMBL13596181

SCHEMBL13596181

CCc1cccc(-c2ccccn2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 3/20 0.63
CCR1 P32246 3/20 0.63
CCR5 P51681 3/20 0.63
CCR8 P51685 3/20 0.63
TP53 P04637 3/20 0.63
HTT P42858 3/20 0.63
ALOX15 P16050 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
L3MBTL1 Q9Y468 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 2/20 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
SCHEMBL24581100 0.98 KDM4E (0.67) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL244011 0.85 CCR1 (0.46) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL18769070 0.82 KDM4E (0.65) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL9526361 0.82 KDM4E (0.55) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL2720906 0.81 KDM4E (0.53) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL7062285 0.81 KCNH2 (0.61) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL313802 0.81 KDM4E (0.63) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL2720567 0.81 KDM4E (0.63) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL20863011 0.81 KDM4E (0.63) KDM4ESMN1; SMN2LMNACCR1CCR5
SCHEMBL2085837 0.81 KDM4E (0.63) KDM4ESMN1; SMN2LMNACCR1CCR5

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-20230374195-A1 Value Chain Return Process for Spent Polyurethanes by Hydrogenation BASF SE (DE) 2023-11-23 US disclosed
WO-2022136147-A1 BISPIDINE DERIVATIVES AND THE USE THEREOF HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF E.V. (DE) 2022-06-30 WO disclosed
EP-4019051-A1 BISPIDINE DERIVATIVES AND THE USE THEREOF Helmholtz-Zentrum Dresden - Rossendorf e.V. (DE) 2022-06-29 EP disclosed
WO-2018134847-A1 IMMUNOSUPPRESSIVE AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-07-26 WO 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-9564274-B2 Metal complex dye, photoelectric conversion element, dye-sensitized solar cell, dye solution, and compound FUJIFILM CORPORATION (JP) 2017-02-07 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-20140290746-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND COMPOUND FUJIFILM CORPORATION (JP) 2014-10-02 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-8323621-B2 site-directed delivery of contrast agent; brain or breast cancer; 1,4,7,10 tetraazacyclododecane having variable chelating ions, phosphoester chains, and light harvesting moieties for changing imaging methods; conjugated to high affinity PBR ligand PK11195; bound to a PVA or a PEG delivery vehicle VANDERBILT UNIVERSITY (US) 2012-12-04 US disclosed
US-8323621-B2 site-directed delivery of contrast agent; brain or breast cancer; 1,4,7,10 tetraazacyclododecane having variable chelating ions, phosphoester chains, and light harvesting moieties for changing imaging methods; conjugated to high affinity PBR ligand PK11195; bound to a PVA or a PEG delivery vehicle VANDERBILT UNIVERSITY (US) 2012-12-04 US disclosed
US-20090318667-A1 Peptoid compositions and methods of using the same NEW YORK UNIVERSITY 2009-12-24 US disclosed
WO-2009139922-A2 PEPTOID COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY SCHOOL OF MEDICINE (US) 2009-11-19 WO disclosed
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES BORNHOP DARRYL J 2008-10-02 US disclosed
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES BORNHOP DARRYL J 2008-10-02 US disclosed
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES VANDERBILT UNIVERSITY 2008-10-02 US disclosed
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES VANDERBILT UNIVERSITY 2008-10-02 US disclosed
US-7338651-B2 Multi-use multimodal imaging chelates TEXAS TECH UNIVERSITY SYSTEM (US) 2008-03-04 US disclosed
US-7338651-B2 Multi-use multimodal imaging chelates TEXAS TECH UNIVERSITY SYSTEM (US) 2008-03-04 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 (6 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 3496/4885SMN1; SMN2 4864/4885LMNA 3705/4885
US-20090318667-A1 Peptoid compositions and methods of using the same PEPD, NGLY1, ANPEP KDM4E 4041/4885SMN1; SMN2 2812/4885LMNA 2533/4885
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB KDM4E 1276/4885SMN1; SMN2 4260/4885LMNA 1635/4885
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 3496/4885SMN1; SMN2 4864/4885LMNA 3705/4885
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 2909/4885SMN1; SMN2 4862/4885LMNA 3187/4885
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB KDM4E 1276/4885SMN1; SMN2 4260/4885LMNA 1635/4885

“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.