SCHEMBL265596

SCHEMBL265596

O=c1c(O)cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)c(F)c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GSK3B P49841 2/20 0.40
GAA P10253 1/20 0.40
HDAC8 Q9BY41 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
IDO1 P14902 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
YAP1 P46937 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
EPHX2 P34913 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
SCHEMBL263816 0.85 FOXO1 (0.60) FOXO1MEN1KMT2AGSK3BGAA
SCHEMBL9275485 0.84 FOXO1 (0.42) FOXO1MEN1KMT2AGSK3BGAA
SCHEMBL262114 0.82 MEN1 (0.53) FOXO1MEN1KMT2AGSK3BGAA
SCHEMBL265597 0.71 KDM4E (0.43) MEN1KMT2AKDM4EIDO1
SCHEMBL263654 0.71 MEN1 (0.59) FOXO1MEN1KMT2AGSK3BGAA
SCHEMBL1242709 0.71 FOXO1 (0.83) FOXO1MEN1KMT2AGSK3BGAA
SCHEMBL262376 0.71 GAA (0.53) FOXO1MEN1KMT2AGSK3BGAA
SCHEMBL263841 0.70 MEN1 (0.48) FOXO1MEN1KMT2AGAAKDM4E
SCHEMBL262566 0.70 MEN1 (0.53) FOXO1MEN1KMT2AGSK3BGAA
SCHEMBL262257 0.70 KDM4E (0.58) FOXO1MEN1KMT2AGSK3BGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 FOXO1 1911/4885MEN1 3327/4885KMT2A 2966/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 FOXO1 2136/4885MEN1 2994/4885KMT2A 2967/4885

“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.