SCHEMBL13096702

SCHEMBL13096702

Cc1c(C=CCCCOc2ccc(F)cc2F)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 1/20 0.41
EGFR P00533 3/20 0.39
TRPA1 O75762 1/20 0.38
HTT P42858 4/20 0.38
MAPT P10636 3/20 0.38
STAT3 P40763 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GRM2 Q14416 1/20 0.37
FFAR1 O14842 1/20 0.35
DHODH Q02127 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
GAA P10253 1/20 0.35
GLA P06280 1/20 0.34

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
SCHEMBL13096709 0.94 EGFR (0.39) SMN1; SMN2PKMEGFRTRPA1HTT
SCHEMBL13096703 0.90 SMN1; SMN2 (0.37) SMN1; SMN2PKMEGFRTRPA1HTT
SCHEMBL13106221 0.90 SMN1; SMN2 (0.43) SMN1; SMN2PKMEGFRTRPA1HTT
SCHEMBL3092171 0.86 ALDH1A1 (0.43) SMN1; SMN2PKMEGFRHTTMAPT
SCHEMBL3092175 0.86 ALDH1A1 (0.43) SMN1; SMN2PKMEGFRHTTMAPT
SCHEMBL13096699 0.86 EGFR (0.47) SMN1; SMN2EGFRHTTMAPTSTAT3
SCHEMBL3100912 0.80 L3MBTL1 (0.42) SMN1; SMN2EGFRHTTMAPTSTAT3
SCHEMBL13096834 0.79 L3MBTL1 (0.38) SMN1; SMN2EGFRHTTMAPTSTAT3
SCHEMBL3086837 0.78 L3MBTL1 (0.43) SMN1; SMN2EGFRHTTMAPTSTAT3
SCHEMBL3086836 0.78 L3MBTL1 (0.43) SMN1; SMN2EGFRHTTMAPTSTAT3

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-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

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 SMN1; SMN2 4848/4885PKM 1034/4885EGFR 4831/4885

“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.