SCHEMBL12427259

SCHEMBL12427259

CCOC(=O)C(=CNCC(F)F)C(=O)c1cc(F)c(F)c(OC)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 2/20 0.37
MAPT P10636 6/20 0.34
LMNA P02545 4/20 0.34
NPSR1 Q6W5P4 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DHODH Q02127 3/20 0.34
GAA P10253 6/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLIN1 O60240 1/20 0.33
POLB P06746 1/20 0.33
PLIN5 Q00G26 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33
HPGD P15428 2/20 0.32

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
SCHEMBL12916941 0.88 MAPT (0.35) SMN1; SMN2ALDH1A1CYP2D6MAPTLMNA
SCHEMBL964753 0.86 NPSR1 (0.37) SMN1; SMN2ALDH1A1CYP2D6MAPTLMNA
SCHEMBL964755 0.86 NPSR1 (0.37) SMN1; SMN2ALDH1A1CYP2D6MAPTLMNA
SCHEMBL12427256 0.85 MAPT (0.33) SMN1; SMN2ALDH1A1CYP2D6MAPTLMNA
SCHEMBL12916957 0.85 NPSR1 (0.37) SMN1; SMN2ALDH1A1CYP2D6MAPTLMNA
SCHEMBL12916928 0.84 NPSR1 (0.36) SMN1; SMN2ALDH1A1CYP2D6MAPTLMNA
SCHEMBL12427255 0.84 NPSR1 (0.36) SMN1; SMN2ALDH1A1CYP2D6MAPTLMNA
SCHEMBL1345257 0.83 GAA (0.37) SMN1; SMN2ALDH1A1CYP2D6MAPTLMNA
SCHEMBL1345256 0.83 GAA (0.37) SMN1; SMN2ALDH1A1CYP2D6MAPTLMNA
SCHEMBL12130969 0.83 GAA (0.37) SMN1; SMN2ALDH1A1CYP2D6MAPTLMNA

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 9 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-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-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
WO-2007090579-A2 SUBSTITUTED QUINOLONES III AICURIS GMBH & CO. KG (DE) 2007-08-16 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 (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 SMN1; SMN2 3686/4885ALDH1A1 3228/4885CYP2D6 155/4885
US-20070293478-A1 Substituted quinolones IRF3, TPMT, NQO2 SMN1; SMN2 3783/4885ALDH1A1 2853/4885CYP2D6 78/4885

“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.