SCHEMBL2581663

SCHEMBL2581663

CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCNC(=O)[C@H](CO)N(C(=O)O)C(C)(C)C)c12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.34
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CLK1 P49759 1/20 0.31
RAB9A P51151 1/20 0.31
MET P08581 3/20 0.31
GFER P55789 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
AXL P30530 1/20 0.30

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
SCHEMBL2584254 0.92 CHRM1 (0.31) CHRM1
SCHEMBL14353494 0.85 CHRM1 (0.37) CHRM1CLK1RAB9AGFERPTGDR2
SCHEMBL12175792 0.85 CHRM1 (0.36) CHRM1CLK1RAB9AMETGFER
Hydrochloric Acid SCHEMBL2585508 0.85 CHRM1 (0.36) CHRM1CLK1RAB9AMETGFER
Hydrochloric Acid SCHEMBL2585506 0.85 CHRM1 (0.36) CHRM1CLK1RAB9AMETGFER
SCHEMBL12175886 0.83 SCN9A (0.36) CHRM1
SCHEMBL2578253 0.82 CHRM1 (0.40) CHRM1CLK1RAB9AGFERMTNR1A
SCHEMBL12175847 0.81 TERT (0.36) CHRM1MTNR1AMTNR1B
SCHEMBL2584855 0.80 PTPN1 (0.33)
SCHEMBL2584858 0.80 PTPN1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45108-E1 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-8304546-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-06 US disclosed
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 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-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 CHRM1 170/4885KEAP1 102/4885NFE2L2 193/4885

“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.