SCHEMBL3091177

SCHEMBL3091177

FC(F)(F)c1cc(OCCCCOCc2ccccc2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TSHR P16473 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
KCNA3 P22001 1/20 0.35
KCNA5 P22460 1/20 0.35
CA2 P00918 1/20 0.35
CHKA P35790 1/20 0.35

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
SCHEMBL13096891 0.80 LTA4H (0.45)
SCHEMBL13107248 0.77 CA2 (0.39) L3MBTL1TSHRCA2CHKA
SCHEMBL10390255 0.73 FAAH (0.47) TDP1L3MBTL1HTR1AHRH4HRH3
SCHEMBL13096892 0.72 ELOVL1 (0.47) CA2CHKA
SCHEMBL2640223 0.72 TSHR (0.70) TDP1L3MBTL1HRH4HRH3TSHR
SCHEMBL21538309 0.71 GABRG2 (0.41) L3MBTL1TSHRMRGPRX4
SCHEMBL20319007 0.71 HTT (0.42) TDP1L3MBTL1HRH4TSHR
SCHEMBL20129054 0.70 TSHR (0.44) TDP1L3MBTL1HRH4HRH3TSHR
SCHEMBL27863538 0.70 TSHR (0.47) TDP1L3MBTL1HRH4HRH3TSHR
SCHEMBL9011624 0.70 TSHR (0.67) TDP1L3MBTL1HRH4HRH3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
CN-101801933-A quinolone derivative ASTELLAS PHARMA INC 2010-08-11 CN disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK TDP1 3099/4885L3MBTL1 2056/4885HTR1A 2696/4885

“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.