SCHEMBL461554

SCHEMBL461554

CCCCCc1cccnc1CCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LIPG Q9Y5X9 1/20 0.46
KCNH2 Q12809 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
PPARA Q07869 2/20 0.41
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
TLR8 Q9NR97 1/20 0.39
PPARG P37231 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
NR1H2 P55055 1/20 0.38

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
SCHEMBL28163513 0.98 TDP1 (0.49) TDP1L3MBTL1LIPGKCNH2ALOX5
SCHEMBL27463695 0.98 TDP1 (0.49) TDP1L3MBTL1LIPGKCNH2ALOX5
SCHEMBL28164157 0.98 TDP1 (0.49) TDP1L3MBTL1LIPGKCNH2ALOX5
SCHEMBL28135204 0.98 TDP1 (0.49) TDP1L3MBTL1LIPGKCNH2ALOX5
Hydrogen Sulfide SCHEMBL28566437 0.98 TDP1 (0.49) TDP1L3MBTL1LIPGKCNH2ALOX5
SCHEMBL23768448 0.98 TDP1 (0.49) TDP1L3MBTL1LIPGKCNH2ALOX5
SCHEMBL29031761 0.98 TDP1 (0.49) TDP1L3MBTL1LIPGKCNH2ALOX5
SCHEMBL1425613 0.98 TDP1 (0.49) TDP1L3MBTL1LIPGKCNH2ALOX5
Bromide SCHEMBL28540729 0.96 TDP1 (0.47) TDP1L3MBTL1LIPGKCNH2ALOX5
SCHEMBL28182684 0.96 TDP1 (0.47) TDP1L3MBTL1LIPGKCNH2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402110-A Method for preparing bis (imino) pyridine compound and metal organic framework material 中国石油化工股份有限公司 2024-01-16 CN claimed
CN-112724168-B Chiral pyridine derived N, B ligand, preparation method and application in iridium-catalyzed asymmetric boronation reaction 西安交通大学 2021-12-28 CN claimed
CN-112724168-A Chiral pyridine derived N, B ligand, preparation method and application in iridium-catalyzed asymmetric boronation reaction 西安交通大学 2021-04-30 CN claimed
CN-107987094-B A kind of preparation method and application of terpyridyl Zn complex 南京邮电大学 2019-08-27 CN claimed
CN-108191831-A A kind of preparation method and application of terpyridyl compounds and its metal complex 南京邮电大学 2018-06-22 CN claimed
CN-107987094-A A kind of preparation method and application of terpyridyl Zn complex 南京邮电大学 2018-05-04 CN claimed
US-8309304-B2 composition for detecting and/or characterizing a multiple-charged biomolecule comprising a charged d8 or d10 metal complex, wherein the metal complex electrostatically binds to the multiple-charged biomolecule to induce aggregation and self-assembly of the metal complex through metal-metal interactions, THE UNIVERSITY OF HONG KONG (CN) 2012-11-13 US claimed
EP-1817106-B1 METHODS FOR PRODUCING A HEXADENTATE BIMETALLIC COMPLEX CHEVRON PHILLIPS CHEMICAL CO (US) 2012-07-11 EP claimed
US-8057989-B2 Label-free optical sensing and characterization of biomolecules by d8 or d10 metal complexes THE UNIVERSITY OF HONG KONG (HK) 2011-11-15 US claimed
US-7456284-B2 Methods for producing a hexadentate bimetallic complex CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-11-25 US claimed
US-20080153103-A1 Label-Free Optical Sensing and Characterization of Biomolecules by D8 or D10 Metal Complexes UNIVERSITY OF HONG KONG, THE (HK) 2008-06-26 US claimed
EP-1888060-A2 NK-B INHIBITORS FOR THE TREATMENT OF MUSCULAR DYSTROPHY A. T. Still University of Health Sciences (US) 2008-02-20 EP claimed
CN-101102843-A Methods for producing a hexadentate bimetallic complex CHEVRON PHILLIPS CHEMICAL CO (US) 2008-01-09 CN claimed
WO-2007090343-A1 LABEL-FREE OPTICAL SENSING AND CHARACTERIZATION OF BIOMOLECULES BY d8 OR d10 METAL COMPLEXES THE UNIVERSITY OF HONG KONG (CN) 2007-08-16 WO claimed
US-20070190549-A1 Label-Free Optical Sensing and Characterization of Biomolecules by D8 or D10 Metal Complexes HONG KONG, UNIVERSITY OF, THE (CN) 2007-08-16 US claimed
EP-1817106-A2 METHODS FOR PRODUCING A HEXADENTATE BIMETALLIC COMPLEX CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2007-08-15 EP claimed
US-20060280812-A1 Compositions and methods for the treatment of muscular dystrophy A.T. STILL UNIVERSITY OF HEATH SCIENCES 2006-12-14 US claimed
WO-2006127930-A2 NK-B INHIBITORS FOR THE TREATMENT OF MUSCULAR DYSTROPHY A. T. STILL UNIVERSITY OF HEALTH SCIENCES (US) 2006-11-30 WO claimed
WO-2006065458-A2 METHODS FOR PRODUCING A HEXADENTATE BIMETALLIC COMPLEX CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2006-06-22 WO claimed
US-20060128958-A1 Methods for producing a hexadentate bimetallic complex CHEVRON PHILLIPS CHEMICAL COMPANY LP 2006-06-15 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060128958-A1 Methods for producing a hexadentate bimetallic complex AADAT, AP3M1, AAAS TDP1 3123/4885L3MBTL1 2246/4885LIPG 4822/4885

“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.