SCHEMBL13097159

SCHEMBL13097159

Cc1c(COc2cc(OCCC3CCOCC3)ccn2)nc2ccc(F)cc2c1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.37
PDE2A O00408 1/20 0.36
DHODH Q02127 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
PARP14 Q460N5 1/20 0.33
MAPK14 Q16539 3/20 0.33
BRD4 O60885 1/20 0.33
CYP2D6 P10635 2/20 0.32
MMP12 P39900 2/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP10 P09238 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
MMP16 P51512 1/20 0.32
AVPR1B P47901 1/20 0.31

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
SCHEMBL13097145 0.92 CYP2D6 (0.38) GABRA5DHODHCNR1CNR2PARP14
SCHEMBL3098716 0.91 PDE2A (0.39) GABRA5PDE2ACNR1CNR2PARP14
SCHEMBL13106534 0.90 PDE2A (0.34) PDE2ACNR1CNR2MAPK14AVPR1B
SCHEMBL13097173 0.88 GABRA5 (0.39) GABRA5PDE2ACNR1CNR2PARP14
SCHEMBL13097050 0.83 CYP2D6 (0.42) GABRA5PDE2ACNR1CNR2PARP14
SCHEMBL13097301 0.83 GABRA5 (0.40) GABRA5CYP2D6
SCHEMBL13106529 0.83 GRM4 (0.34) CYP2D6AVPR1B
SCHEMBL13106530 0.82 PDE2A (0.41) GABRA5PDE2ADHODHCYP2D6MMP12
SCHEMBL13096951 0.82 CYP2D6 (0.46) DHODHCNR1CNR2PARP14CYP2D6
SCHEMBL13097038 0.82 CYP2D6 (0.40) DHODHCNR1CNR2PARP14CYP2D6

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 GABRA5 3532/4885PDE2A 2590/4885DHODH 294/4885

“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.