SCHEMBL3098716

SCHEMBL3098716

Cc1c(COc2cc(OCCC3CCOCC3)ccn2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.39
GABRA5 P31644 1/20 0.39
MMP12 P39900 2/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP10 P09238 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
MMP16 P51512 1/20 0.36
CYP2D6 P10635 3/20 0.36
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
PARP14 Q460N5 1/20 0.35
BRD4 O60885 1/20 0.34
SCD O00767 1/20 0.34
FFAR1 O14842 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL13097173 0.97 GABRA5 (0.39) PDE2AGABRA5MMP12MMP2MMP3
SCHEMBL13097050 0.91 CYP2D6 (0.42) PDE2AGABRA5CYP2D6CNR1CNR2
SCHEMBL13097301 0.91 GABRA5 (0.40) GABRA5CYP2D6SCDFFAR1MAOA
SCHEMBL13097159 0.91 GABRA5 (0.37) PDE2AGABRA5MMP12MMP2MMP3
SCHEMBL13106530 0.91 PDE2A (0.41) PDE2AGABRA5MMP12MMP2MMP3
SCHEMBL13096921 0.90 GABRA5 (0.42) GABRA5CYP2D6CNR1CNR2PARP14
SCHEMBL13096998 0.90 CYP2D6 (0.42) PDE2AMMP12MMP2MMP3MMP7
SCHEMBL13106277 0.87 PDE2A (0.39) PDE2AMMP12MMP2MMP3MMP7
SCHEMBL13097212 0.87 GABRA5 (0.40) GABRA5CYP2D6MAOA
SCHEMBL13097264 0.86 PDE2A (0.39) PDE2AMMP12MMP2MMP3MMP7

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 5 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
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 PDE2A 2590/4885GABRA5 3532/4885MMP12 2746/4885

“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.