SCHEMBL2528053

SCHEMBL2528053

OCCCNc1ccnc2cc(Cl)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.83
CYP1A2 P05177 1/20 0.78
FERMT2 Q96AC1 4/20 0.75
NR4A2 P43354 1/20 0.72
CDK1 P06493 1/20 0.72
HRH3 Q9Y5N1 4/20 0.64
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL11757988 0.96 CCR1 (0.86) CCR1CYP1A2FERMT2NR4A2CDK1
SCHEMBL23883151 0.94 CCR1 (0.84) CCR1CYP1A2FERMT2NR4A2CDK1
SCHEMBL11758461 0.94 CCR1 (0.84) CCR1CYP1A2FERMT2NR4A2CDK1
SCHEMBL11756506 0.94 CCR1 (0.84) CCR1CYP1A2FERMT2NR4A2CDK1
Hydrochloric Acid SCHEMBL11758124 0.93 CCR1 (0.82) CCR1CYP1A2FERMT2NR4A2CDK1
SCHEMBL1855080 0.91 CYP1A2 (0.82) CCR1CYP1A2FERMT2NR4A2CDK1
SCHEMBL12643220 0.90 CCR1 (0.97) CCR1CYP1A2FERMT2NR4A2HRH3
SCHEMBL15481296 0.90 CCR1 (0.97) CCR1CYP1A2FERMT2NR4A2HRH3
SCHEMBL17527057 0.90 CCR1 (0.97) CCR1CYP1A2FERMT2NR4A2HRH3
SCHEMBL10179919 0.89 CCR1 (0.75) CCR1CYP1A2FERMT2NR4A2CDK1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493420-B2 Quinoline derivatives and uses thereof PORTLAND STATE UNIVERSITY (US) 2016-11-15 US disclosed
US-9493420-B2 Quinoline derivatives and uses thereof PORTLAND STATE UNIVERSITY (US) 2016-11-15 US disclosed
US-8658648-B2 Modified chloroquines with single ring moiety or fused ring moiety DESIGNMEDIX, INC. (US) 2014-02-25 US disclosed
US-8658648-B2 Modified chloroquines with single ring moiety or fused ring moiety DESIGNMEDIX, INC. (US) 2014-02-25 US disclosed
US-20130310348-A1 QUINOLINE DERIVATIVES AND USES THEREOF STATE UNIVERSITY (US) 2013-11-21 US disclosed
US-8524739-B2 Quinoline derivatives and uses thereof STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2013-09-03 US disclosed
US-8524739-B2 Quinoline derivatives and uses thereof STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2013-09-03 US disclosed
US-20110257160-A1 QUINOLINE DERIVATIVES AND USES THEREOF Board of Higher Education on behalf of Portland State University 2011-10-20 US disclosed
US-20110257160-A1 QUINOLINE DERIVATIVES AND USES THEREOF Board of Higher Education on behalf of Portland State University 2011-10-20 US disclosed
US-20110251210-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY PORTLAND STATE UNIVERSITY (US) 2011-10-13 US disclosed
US-7947701-B2 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
WO-2010086351-A1 3'-N-SUBSTITUTED 9-DEOXO-9A-METHYL-9A-AZA-HOMOERYTHROMYCIN HAVING ANTIMALARIAL ACTIVITY GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2010-08-05 WO disclosed
WO-2010086351-A1 3'-N-SUBSTITUTED 9-DEOXO-9A-METHYL-9A-AZA-HOMOERYTHROMYCIN HAVING ANTIMALARIAL ACTIVITY GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2010-08-05 WO disclosed
EP-1687312-B1 DUAL MOLECULES CONTAINING PEROXY DERIVATIVE, THE SYNTHESIS AND THERAPEUTIC APPLICATIONS THEREOF CENTRE NAT RECH SCIENT (FR) 2010-07-14 EP disclosed
WO-2010065925-A1 MODIFIED CHLOROQUINES WITH BRANCHED MOIETY DESIGNMEDIX, INC. (US) 2010-06-10 WO disclosed
WO-2009016142-A1 9-DEOXO-9A-METHYL-9A-AZA-9A-HOMOERYTHROMYCIN A DERIVATIVES AND THEIR USE FOR THE TREATMENT OF MALARIA GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2009-02-05 WO disclosed
US-20080188462-A1 Quinoline Derivatives And Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-08-07 US disclosed
US-20080188462-A1 Quinoline Derivatives And Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-08-07 US disclosed
US-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-25 US disclosed
US-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-25 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 (5 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-20110251210-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY QARS1, MAVS, QDPR CCR1 2418/4885CYP1A2 1668/4885FERMT2 4539/4885
US-20130310348-A1 QUINOLINE DERIVATIVES AND USES THEREOF RECQL, QARS1, QTRT1 CCR1 3594/4885CYP1A2 446/4885FERMT2 3817/4885
US-20110257160-A1 QUINOLINE DERIVATIVES AND USES THEREOF RECQL, QARS1, QTRT1 CCR1 3594/4885CYP1A2 446/4885FERMT2 3817/4885
US-20080188462-A1 Quinoline Derivatives And Uses Thereof RECQL, QARS1, QTRT1 CCR1 3594/4885CYP1A2 446/4885FERMT2 3817/4885
US-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof PRDX2, PRDX1, PRDX5 CCR1 4443/4885CYP1A2 210/4885FERMT2 1686/4885

“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.