SCHEMBL3095019

SCHEMBL3095019

CC(=O)/C=C/c1ccc(OCc2ccccc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.51
BACE1 P56817 4/20 0.51
GLA P06280 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FFAR1 O14842 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAOB P27338 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
CA12 O43570 1/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46

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
SCHEMBL3095033 1.00 GSK3B (0.51) GSK3BBACE1GLATDP1FFAR1
SCHEMBL9757027 0.89 KDM4E (0.58) GSK3BBACE1FFAR1RAB9ALMNA
SCHEMBL9757028 0.89 KDM4E (0.58) GSK3BBACE1FFAR1RAB9ALMNA
SCHEMBL3688515 0.84 CA12 (0.55) GSK3BBACE1FFAR1NPC1RAB9A
SCHEMBL3688513 0.84 CA12 (0.55) GSK3BBACE1FFAR1NPC1RAB9A
SCHEMBL9344837 0.81 GSK3B (0.76) GSK3BBACE1GLATDP1NPC1
SCHEMBL9344834 0.81 GSK3B (0.76) GSK3BBACE1GLATDP1NPC1
SCHEMBL15177143 0.81 AKT1 (0.48) GSK3BBACE1TDP1FFAR1NPC1
SCHEMBL10245208 0.78 TLR4 (0.44) GSK3BBACE1FFAR1MAOBABCG2
SCHEMBL510599 0.77 MAOA (0.53) GSK3BBACE1FFAR1NPC1RAB9A

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 GSK3B 576/4885BACE1 1733/4885GLA 743/4885

“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.