SCHEMBL12427384

SCHEMBL12427384

CCOC(=O)C1CCN(c2c(F)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4Cl)cn(C4CC4)c3c2Cl)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
NPSR1 Q6W5P4 1/20 0.42
KCNH2 Q12809 4/20 0.41
SLC22A2 O15244 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EPHX2 P34913 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL12427348 0.92 KCNH2 (0.51) ALDH1A1POLBOPRM1NPSR1KCNH2
SCHEMBL12427407 0.90 ALDH1A1 (0.53) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL12427340 0.87 KCNH2 (0.49) ALDH1A1POLBOPRM1NPSR1KCNH2
SCHEMBL1006767 0.86 ALDH1A1 (0.48) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL12427325 0.86 ALDH1A1 (0.56) ALDH1A1POLB
SCHEMBL1972816 0.85 ALDH1A1 (0.45) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL1973757 0.85 ALDH1A1 (0.46) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL12427322 0.85 KCNH2 (0.43) ALDH1A1POLBOPRM1NPSR1KCNH2
SCHEMBL12427409 0.84 KCNH2 (0.55) ALDH1A1POLBOPRM1NPSR1KCNH2
SCHEMBL12917487 0.83 ALDH1A1 (0.47) 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 4 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-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

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-20090181996-A1 SUBSTITUTED QUINOLONES III IRF3, TPMT, TOP2A ALDH1A1 3228/4885POLB 77/4885CHRM2 3219/4885

“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.