SCHEMBL4540155

SCHEMBL4540155

CCCCCc1nn[nH]c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.38
HCAR3 P49019 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 4/20 0.35
CYP3A4 P08684 2/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
HSPD1 P10809 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL9140532 0.94 HCAR2 (0.37) HCAR2HCAR3ALDH1A1LMNA
SCHEMBL460418 0.78 MEN1 (0.41) HCAR2HCAR3MEN1KMT2AALDH1A1
SCHEMBL5600403 0.78 MEN1 (0.37) HCAR2HCAR3MEN1KMT2AALDH1A1
SCHEMBL545497 0.76 ALDH1A1 (0.39) HCAR2HCAR3MEN1KMT2AKDM4E
SCHEMBL11050350 0.76 MEN1 (0.40) HCAR2HCAR3MEN1KMT2AALDH1A1
SCHEMBL5603213 0.76 MEN1 (0.36) HCAR2HCAR3MEN1KMT2AALDH1A1
SCHEMBL5601887 0.76 MEN1 (0.36) HCAR2HCAR3MEN1KMT2AALDH1A1
SCHEMBL5603360 0.76 MEN1 (0.36) HCAR2HCAR3MEN1KMT2AALDH1A1
SCHEMBL5600267 0.76 MEN1 (0.36) HCAR2HCAR3MEN1KMT2AALDH1A1
SCHEMBL5600516 0.76 MEN1 (0.36) HCAR2HCAR3MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946525-B1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AG (DE) 2004-04-07 EP claimed
US-6045776-A Process for the production of metal-complex carboxylic acid amides SCHERING AKTIENGESELLSCHAFT (DE) 2000-04-04 US claimed
US-8263040-B2 contrast agents for necrosis imaging, diagnosis of changes in the lymphatic system, inflammatory diseases, cardiovascular diseases, tumour imaging; radioactive materials use in radiotherapy BAYER SCHERING PHARMA AG (DE) 2012-09-11 US disclosed
US-20090297454-A1 Perfluoroalkyl-Containing Complexes, Process For Their Production As Well As Their Use SCHIRMER HEIKO 2009-12-03 US disclosed
US-7618957-B2 1-N-(Benzyloxycarbonyl)-1H,1H,2H,2H,4H,4H,5H,5H-3-aza-perfluorotridecylamine; used in NMR and x-ray diagnosis, radiodiagnosis, and radiotherapy, as well as in MRT lymphography and in blood-pool imaging BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-17 US disclosed
EP-2089362-A1 METAL CHELATES HAVING A PERFLUORINATED PEG GROUP, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2009-08-19 EP disclosed
US-20080159954-A1 METAL CHELATES HAVING A PERFLUORINATED PEG RADICAL, PROCESSES FOR THEIR PREPARATION, AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-03 US disclosed
WO-2008046463-A1 METAL CHELATES HAVING A PERFLUORINATED PEG GROUP, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-24 WO disclosed
EP-1904463-A2 COMPLEXES CONTAINING PERFLUOROALKYL, METHOD FOR THE PRODUCTION AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-02 EP disclosed
EP-1904462-A2 COMPLEXES CONTAINING PERFLUOROALKYL, METHOD FOR THE PRODUCTION AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-02 EP disclosed
US-20070189969-A1 Perfluoroalkyl-containing complexes, process for their production as well as their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-08-16 US disclosed
EP-1307236-A2 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
US-20030072713-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-04-17 US disclosed
US-6461587-B1 Perfluoroalkylamides, their production and their use in diagnosis SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
WO-2002013874-A2 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-21 WO disclosed
EP-1163231-A1 PERFLUOROALKYLAMIDE, THE PRODUCTION THEREOF AND THE USE THEREOF IN DIAGNOSTICS SCHERING AKTIENGESELLSCHAFT (DE) 2001-12-19 EP disclosed
WO-2000056723-A1 PERFLUOROALKYLAMIDE, THE PRODUCTION THEREOF AND THE USE THEREOF IN DIAGNOSTICS SCHERING AKTIENGESELLSCHAFT (DE) 2000-09-28 WO disclosed
US-6045776-A Process for the production of metal-complex carboxylic acid amides SCHERING AKTIENGESELLSCHAFT (DE) 2000-04-04 US disclosed
EP-0946525-A1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AKTIENGESELLSCHAFT (DE) 1999-10-06 EP disclosed
WO-1998024775-A1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AKTIENGESELLSCHAFT (DE) 1998-06-11 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 (4 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-20080159954-A1 METAL CHELATES HAVING A PERFLUORINATED PEG RADICAL, PROCESSES FOR THEIR PREPARATION, AND THEIR USE TFRC, FCGRT, SLC39A14 HCAR2 3526/4885HCAR3 2668/4885MEN1 3381/4885
US-20030072713-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses FABP3, PRF1, PTDSS1 HCAR2 1518/4885HCAR3 1132/4885MEN1 398/4885
US-20070189969-A1 Perfluoroalkyl-containing complexes, process for their production as well as their use AFF1, FGB, PF4 HCAR2 3393/4885HCAR3 3298/4885MEN1 1643/4885
US-20090297454-A1 Perfluoroalkyl-Containing Complexes, Process For Their Production As Well As Their Use AFF1, FGB, PF4 HCAR2 3393/4885HCAR3 3298/4885MEN1 1643/4885

“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.