SCHEMBL965846

SCHEMBL965846

O=C(NCc1ccc(Cl)cc1Cl)c1cn(C2CC2)c2c(Cl)c(F)c(F)cc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 3/20 0.48
P2RX7 Q99572 5/20 0.44
MAPK8 P45983 1/20 0.44
EPHX2 P34913 1/20 0.44
POU2F2 P09086 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
TOP2A P11388 2/20 0.43
TOP2B Q02880 2/20 0.43

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
SCHEMBL1973355 0.87 P2RX7 (0.42) P2RX7MAPK8EPHX2
SCHEMBL12427407 0.85 ALDH1A1 (0.53) SLC22A2P2RX7EPHX2ALDH1A1POLB
SCHEMBL1006277 0.85 POLB (0.48) SLC22A2P2RX7POU2F2ALDH1A1POLB
SCHEMBL1006767 0.85 ALDH1A1 (0.48) SLC22A2P2RX7POU2F2ALDH1A1POLB
SCHEMBL12917277 0.85 POLB (0.48) SLC22A2P2RX7POU2F2ALDH1A1POLB
SCHEMBL12917487 0.83 ALDH1A1 (0.47) SLC22A2P2RX7ALDH1A1POLBCHRM2
SCHEMBL12917489 0.83 ALDH1A1 (0.46) SLC22A2P2RX7EPHX2ALDH1A1POLB
SCHEMBL12917485 0.82 ALDH1A1 (0.46) SLC22A2EPHX2POU2F2ALDH1A1POLB
SCHEMBL12427384 0.82 ALDH1A1 (0.47) SLC22A2EPHX2ALDH1A1POLBCHRM2
SCHEMBL968075 0.82 ALDH1A1 (0.45) SLC22A2P2RX7MAPK8EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 US disclosed
US-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 US disclosed
US-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 US disclosed
EP-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 EP 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-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-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-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 US disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 US disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 US disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 US disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 US disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 US disclosed
EP-1768973-B1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO KG (DE) 2007-12-05 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 (2 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-20090181996-A1 SUBSTITUTED QUINOLONES III IRF3, TPMT, TOP2A SLC22A2 4077/4885P2RX7 418/4885MAPK8 3128/4885
US-20070293478-A1 Substituted quinolones IRF3, TPMT, NQO2 SLC22A2 3771/4885P2RX7 224/4885MAPK8 3172/4885

“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.