SCHEMBL1034612

SCHEMBL1034612

O=C(Nc1cccc2ccc(-c3ccc(F)c(C(F)(F)F)c3)nc12)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
KMO O15229 2/20 0.47
SCN5A Q14524 3/20 0.45
SCN9A Q15858 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ABCB1 P08183 1/20 0.43
MPL P40238 2/20 0.42
HDAC2 Q92769 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL1035371 0.92 RAB9A (0.46) KDRKMOSCN5ASCN9AKMT2A
SCHEMBL1033373 0.87 GRM4 (0.57) KMOSCN5ASCN9AMEN1KMT2A
SCHEMBL1036195 0.82 KMO (0.42) KMOMEN1KMT2AMAPTMPL
SCHEMBL1032970 0.82 SMN1; SMN2 (0.48) KMOSCN5ASCN9AMEN1KMT2A
SCHEMBL1035141 0.81 KDR (0.48) KDRMEN1KMT2AALDH1A1MAPT
SCHEMBL1029916 0.79 HDAC1 (0.52) KDRHDAC1HDAC6MPLSIRT2
SCHEMBL17772337 0.75 KDR (0.53) KDRMEN1KMT2AALDH1A1MAPT
SCHEMBL1035541 0.75 KAT6A (0.48) KDRMEN1KMT2AALDH1A1HDAC1
SCHEMBL17772291 0.74 KDR (0.55) KDRMEN1KMT2AALDH1A1MAPT
SCHEMBL1036270 0.74 MPL (0.53) KMOMPLSUCNR1

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 KDR 1845/4885KMO 256/4885SCN5A 1781/4885

“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.