SCHEMBL1006471

SCHEMBL1006471

N#Cc1cccc2ccc(=O)[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.55
CA9 Q16790 4/20 0.55
UPP1 Q16831 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MCL1 Q07820 2/20 0.40
HTT P42858 1/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GRIA1 P42261 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
Hydrochloric Acid SCHEMBL30903877 0.98 CA12 (0.53) CA12CA9UPP1CA1CA2
SCHEMBL19751500 0.74 CA12 (0.46) CA12CA9UPP1CA1CA2
SCHEMBL16050842 0.72 CA12 (0.62) CA12CA9CA1CA3CA4
SCHEMBL12778112 0.72 DYRK1A (0.41) CA1CA2MCL1HTTCLK1
SCHEMBL3224071 0.71 CA12 (0.60) CA12CA9CA1CA3CA4
SCHEMBL3137037 0.71 CA12 (1.00) CA12CA9CA1CA3CA4
SCHEMBL4178782 0.71 CA12 (1.00) CA12CA9CA1CA3CA4
SCHEMBL29385308 0.71 CA12 (0.60) CA12CA9CA1CA3CA4
SCHEMBL30063823 0.71 CA12 (0.60) CA12CA9CA1CA3CA4
SCHEMBL433883 0.71 CA12 (0.60) CA12CA9CA1CA3CA4

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 12 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
CN-108349899-A The derivative of halogenated that rhzomorph of quinoline 加利福尼亚大学董事会 2018-07-31 CN disclosed
US-8658645-B2 Use of quinolone antibiotics BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-25 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-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 (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-20080261964-A1 Substituted quinolones II TOP2A, TPMT, TOP2B CA12 1959/4885CA9 2273/4885UPP1 568/4885
US-20070082911-A1 Novel use of quinolone antibiotics QARS1, NQO2, DHX35 CA12 3516/4885CA9 2589/4885UPP1 2629/4885
US-20070293478-A1 Substituted quinolones IRF3, TPMT, NQO2 CA12 2872/4885CA9 2725/4885UPP1 483/4885

“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.