SCHEMBL13636384

SCHEMBL13636384

CCCOc1ccc(F)c2c(=O)c(-c3cccnc3)cn(COP(=O)(O)O)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
PDE5A O76074 1/20 0.33
PPARG P37231 1/20 0.33
NAMPT P43490 3/20 0.33
MET P08581 1/20 0.33
CYP3A4 P08684 4/20 0.33
CYP19A1 P11511 2/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2B6 P20813 1/20 0.32
S1PR4 O95977 1/20 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
SCHEMBL2460941 0.92 S1PR1 (0.33) PPARGS1PR4S1PR1S1PR3S1PR5
SCHEMBL2496315 0.86 BRD4 (0.38) METS1PR4S1PR1S1PR3S1PR5
SCHEMBL13636385 0.84 S1PR1 (0.30) S1PR1
SCHEMBL2458317 0.84 CHRM1 (0.39) METS1PR4S1PR1S1PR3S1PR5
SCHEMBL2461161 0.84 FFAR4 (0.37) METS1PR4S1PR1S1PR3S1PR5
SCHEMBL2461831 0.83 CHRM1 (0.39) METS1PR4S1PR1S1PR3S1PR5
SCHEMBL2587474 0.83 AR (0.31)
SCHEMBL2581756 0.80 HPGD (0.34) TSHRNPC1RAB9AKMT2A
SCHEMBL2464023 0.80
SCHEMBL2465082 0.79 CHRM1 (0.36) S1PR4S1PR1S1PR3S1PR5

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-9018229-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-04-28 US disclosed
US-RE45108-E1 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US disclosed
US-8304546-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-06 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-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 CTSD 1971/4885BACE1 340/4885BACE2 1484/4885

“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.