SCHEMBL1034348

SCHEMBL1034348

O=C(Nc1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12)c1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.52
HDAC1 Q13547 1/20 0.52
KDR P35968 3/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HTR2A P28223 1/20 0.49
KCNH2 Q12809 1/20 0.49
TRPV4 Q9HBA0 1/20 0.49
MAP4K4 O95819 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
BRAF P15056 2/20 0.45
SCD O00767 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
LMNA P02545 1/20 0.45
LCK P06239 1/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL1076541 0.88 ABL1 (0.56) EPHX2HDAC1KDRHTR2AKCNH2
SCHEMBL1034276 0.80 THRB (0.58) RXFP1TP53POLBKDM4EGAA
SCHEMBL1034693 0.80 TP53 (0.47) HDAC1RXFP1TP53POLBGAA
SCHEMBL1034692 0.80 TP53 (0.47) HDAC1RXFP1TP53POLBGAA
SCHEMBL13626817 0.79 TP53 (0.48) RXFP1MAP4K4TP53POLBGAA
SCHEMBL1033042 0.77 BRAF (0.49) BRAFSCN9A
SCHEMBL594025 0.76 DDR2 (0.62) KDRRXFP1HTR2AKCNH2TRPV4
SCHEMBL1034793 0.73 ALDH1A1 (0.48) HDAC1RXFP1TP53KDM4EGAA
SCHEMBL1075235 0.73 NPY5R (0.42) HDAC1KDR
SCHEMBL10158411 0.72 DDR2 (0.62) KDRRXFP1HTR2AKCNH2TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 EPHX2 4812/4885HDAC1 87/4885KDR 1845/4885

“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.