SCHEMBL967809

SCHEMBL967809

Cc1cc(Cl)ccc1CNC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCN(CCOCCO)CC3)c(F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 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
KDM4E B2RXH2 2/20 0.40
SLC22A2 O15244 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
POU2F2 P09086 1/20 0.36

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
SCHEMBL966775 0.93 ALDH1A1 (0.44) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL965915 0.93 KDM4E (0.46) ALDH1A1POLBOPRM1KDM4ELMNA
SCHEMBL5284805 0.91 ALDH1A1 (0.39) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL12917365 0.86 KDM4E (0.48) ALDH1A1POLBOPRM1KDM4ELMNA
SCHEMBL12917489 0.86 ALDH1A1 (0.46) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL964823 0.85 EPHX2 (0.40) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL964742 0.85 EPHX2 (0.40) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL12917296 0.85 EPHX2 (0.40) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL964744 0.84 KDM4E (0.39) ALDH1A1POLBOPRM1KDM4ESLC22A2
SCHEMBL5282397 0.84 ALDH1A1 (0.40) ALDH1A1POLBCHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 US 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 (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-20070293478-A1 Substituted quinolones IRF3, TPMT, NQO2 ALDH1A1 2853/4885POLB 86/4885CHRM2 3112/4885

“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.