SCHEMBL1258482

SCHEMBL1258482

BrCc1ccc2ccc3ccc(CBr)nc3c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 1.00
CCR5 P51681 2/20 0.38
RAB9A P51151 1/20 0.38
PDE10A Q9Y233 1/20 0.33
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MMP8 P22894 1/20 0.31
THPO P40225 1/20 0.31

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
SCHEMBL8944167 0.87 CCR1 (0.75) CCR1CCR5RAB9APDE10APARP1
SCHEMBL1579936 0.80 CCR1 (0.65) CCR1CCR5RAB9APDE10APARP1
SCHEMBL2707252 0.79 CCR1 (0.63) CCR1PDE10APARP1LMNAMAPT
SCHEMBL6196701 0.79 CCR1 (0.63) CCR1RAB9APDE10APARP1KDM4E
SCHEMBL201143 0.79 CCR1 (0.63) CCR1RAB9APDE10APARP1KDM4E
SCHEMBL9684142 0.79 CCR1 (0.63) CCR1RAB9APDE10AKDM4ELMNA
SCHEMBL4055648 0.74 CCR1 (0.57) CCR1PDE10APARP1KDM4EMAPT
SCHEMBL4056183 0.74 CCR1 (0.57) CCR1RAB9APDE10AKDM4ELMNA
SCHEMBL6088737 0.74 CCR1 (0.57) CCR1RAB9APDE10AKDM4EMAPT
SCHEMBL8944497 0.73 LMNA (0.61) CCR1CCR5RAB9APDE10AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545639-A USING 2,9-BIS(HALOMETHYL)-1,10-PHENANTHROLINE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-08-13 US claimed
EP-0180492-A1 Macropolycyclic complexes of rare earth metals and application as fluorescent labels CIS BIO INTERNATIONAL (FR) 1986-05-07 EP claimed
US-8648064-B2 Metal complexes of N-heterocyclic carbenes THE UNIVERSITY OF AKRON (US) 2014-02-11 US disclosed
US-8648064-B2 Metal complexes of N-heterocyclic carbenes THE UNIVERSITY OF AKRON (US) 2014-02-11 US disclosed
US-8519146-B2 Purine or imidazole and silver complexes; therapeutic, antimicrobial, and antifungal compounds; urinary tract infections THE UNIVERSITY OF AKRON (US) 2013-08-27 US disclosed
US-8519146-B2 Purine or imidazole and silver complexes; therapeutic, antimicrobial, and antifungal compounds; urinary tract infections THE UNIVERSITY OF AKRON (US) 2013-08-27 US disclosed
US-20110086830-A1 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES THE UNIVERSITY OF AKRON (US) 2011-04-14 US disclosed
US-20110086830-A1 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES THE UNIVERSITY OF AKRON (US) 2011-04-14 US disclosed
US-RE42152-E1 Aromatic-linked polyamine macrocyclic compounds with anti-HIV activity GENZYME CORPORATION (US) 2011-02-15 US disclosed
US-7696361-B2 Chemical reagents capable of selective attachment to and reaction with peptides and proteins CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-04-13 US disclosed
US-20080267867-A1 Metal Complexes of N-Heterocyclic Carbenes as Radiopharmaceuticals and Antibiotics UNIVERSITY OF AKRON 2008-10-30 US disclosed
US-20050010059-A1 Chemical reagents capable of selective attachment to and reaction with peptides and proteins CALIFORNIA INSTITUTE OF TECHNOLOGY 2005-01-13 US disclosed
EP-1223166-A1 Linked cyclic polyamines with activity against hiv. AnorMED Inc. (CA) 2002-07-17 EP disclosed
US-5583131-A FOR TREATMENT OR PREVENTION OF ACQUIRED IMMUNE DEFICIENCY SYNDROME, REDUCED TOXICITY JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1996-12-10 US disclosed
US-5545639-A USING 2,9-BIS(HALOMETHYL)-1,10-PHENANTHROLINE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-08-13 US disclosed
US-5262526-A Fluorescent compound, complex, reagent, and specific binding assay employing said reagent DOJINDO LABORATORIES (JP) 1993-11-16 US disclosed
EP-0493745-A1 Fluorescent compound, complex, reagent, and specific binding assay employing said reagent DOJINDO LABORATORIES (JP) 1992-07-08 EP disclosed
US-4859777-A Terpyridine chelating agents EASTMAN KODAK COMPANY (US) 1989-08-22 US disclosed
US-4837169-A RADIOIMMUNOASSAY EASTMAN KODAK COMPANY (US) 1989-06-06 US disclosed
EP-0288256-A2 Fluorescent labels EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-10-26 EP 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-20080267867-A1 Metal Complexes of N-Heterocyclic Carbenes as Radiopharmaceuticals and Antibiotics MKI67, C1S, CYC1 CCR1 257/4885CCR5 988/4885RAB9A 2421/4885
US-20050010059-A1 Chemical reagents capable of selective attachment to and reaction with peptides and proteins PTMS, FGB, DNPEP CCR1 856/4885CCR5 1333/4885RAB9A 3665/4885
US-20110086830-A1 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES NOD2, ARNT, FPR1 CCR1 115/4885CCR5 144/4885RAB9A 3565/4885

“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.