SCHEMBL13097376

SCHEMBL13097376

Cc1c(COc2ccc(CCC3CCOCC3)cc2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
CHEK2 O96017 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
ROS1 P08922 1/20 0.36
FLT3 P36888 1/20 0.36
ERBB4 Q15303 1/20 0.36
AURKB Q96GD4 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
ADAM17 P78536 3/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL13106158 0.91 TLR7 (0.38) HTTKMT2AACHEBCHEADAM17
SCHEMBL13097011 0.89 CYP2D6 (0.43) PARP14CHEK2EGFRERBB2ROS1
SCHEMBL13097324 0.89 PARP14 (0.36) PARP14ACHECNR1CNR2
SCHEMBL13097358 0.88 CYP2D6 (0.37) ACHECNR1CNR2ADAM17
SCHEMBL13096998 0.85 CYP2D6 (0.42) PARP14CNR1CNR2
SCHEMBL13097031 0.84 CYP2D6 (0.41) PARP14CNR1CNR2
SCHEMBL13097264 0.84 PDE2A (0.39) PARP14HTTCNR1CNR2
SCHEMBL3103759 0.83 CYP2D6 (0.52) PARP14CNR1CNR2
SCHEMBL13097173 0.82 GABRA5 (0.39) PARP14HTTCNR1CNR2LMNA
SCHEMBL13096916 0.82 CYP2D6 (0.44) PARP14HTTCNR1CNR2

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 PARP14 291/4885HRH3 1783/4885HTT 4209/4885

“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.