SCHEMBL1006473

SCHEMBL1006473

N#Cc1cccc2ccc[n+]([O-])c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
GALK1 P51570 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
DYRK1A Q13627 2/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL27585332 0.76 TSHR (0.45) MAPTKDM4ETDP2NSD2POLB
SCHEMBL30100799 0.76 CA1 (0.38) CA1CA2MAPTKDM4EKMT2A
SCHEMBL17839691 0.76 CA1 (0.38) CA1CA2MAPTKDM4EKMT2A
SCHEMBL5352485 0.74 MAPT (0.41) MAPTKDM4ETDP2NSD2POLB
SCHEMBL29963467 0.73 HRH4 (0.38) CA1CA2MAPTKDM4ETDP2
SCHEMBL28560362 0.73 HRH4 (0.38) CA1CA2MAPTKDM4ETDP2
SCHEMBL14460001 0.72 TSHR (0.35) MAPTTDP1HTTTSHRDYRK1A
SCHEMBL4136722 0.69 CYP3A4 (0.43) MAPTKDM4ETDP2NSD2POLB
SCHEMBL2133978 0.69 CYP2A6 (0.43) CA1CA2MAPTKDM4ETDP2
SCHEMBL21530568 0.69 MAPT (0.38) MAPTKDM4ETDP2NSD2POLB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656143-B1 NOVEL USE OF QUINOLONE ANTIBIOTICS BAYER ANIMAL HEALTH GMBH (DE) 2011-10-12 EP claimed
US-20070082911-A1 Novel use of quinolone antibiotics ELANCO ANIMAL HEALTH GMBH (DE) 2007-04-12 US claimed
US-8658645-B2 Use of quinolone antibiotics BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-25 US disclosed
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-7867992-B2 such as 1-Cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-8-methoxy-7-[3-methyl-4-(2-{[(methylamino)carbonyl]amino}-2-oxoethyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide, used for the treatment and/or prophylaxis of viral diseases or infections, particularly against cytomegaloviruses AICURIS GMBH & CO. KG (DE) 2011-01-11 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-7569563-B2 Substituted quinolones II AICURIS GMBH & CO. HK (DE) 2009-08-04 US disclosed
US-20080261964-A1 Substituted quinolones II AICURIS GMBH & CO. KG (DE) 2008-10-23 US disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 US disclosed
US-20070082911-A1 Novel use of quinolone antibiotics ELANCO ANIMAL HEALTH GMBH (DE) 2007-04-12 US disclosed
EP-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 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-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS OPRM1, OPRK1, OPRD1 CA1 4871/4885CA2 4563/4885MAPT 2993/4885
US-20080261964-A1 Substituted quinolones II TOP2A, TPMT, TOP2B CA1 3802/4885CA2 2524/4885MAPT 2639/4885
US-20070082911-A1 Novel use of quinolone antibiotics QARS1, NQO2, DHX35 CA1 4739/4885CA2 3041/4885MAPT 4399/4885
US-20070293478-A1 Substituted quinolones IRF3, TPMT, NQO2 CA1 4367/4885CA2 3342/4885MAPT 2548/4885

“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.