SCHEMBL1032970

SCHEMBL1032970

O=C(Nc1cccc2ccc(-c3ccc(F)c(C(F)(F)F)c3)nc12)c1cnccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KMO O15229 2/20 0.44
GRM4 Q14833 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
MCL1 Q07820 1/20 0.43
SCN5A Q14524 3/20 0.43

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
SCHEMBL1033373 0.90 GRM4 (0.57) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1035032 0.86 BRAF (0.52) SMN1; SMN2ALDH1A1MAPTALOX15HDAC3
SCHEMBL1036195 0.85 KMO (0.42) MAPTKMOGRM4MEN1KMT2A
SCHEMBL1035371 0.85 RAB9A (0.46) KMOKMT2ATP53RAB9ASCN5A
SCHEMBL1034141 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTALOX15HDAC3
SCHEMBL1034612 0.82 KDR (0.48) ALDH1A1MAPTHDAC1HDAC2HDAC8
SCHEMBL1033932 0.82 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1MAPTALOX15HDAC3
SCHEMBL1033349 0.82 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1MAPTALOX15HDAC3
SCHEMBL1029914 0.81 NPC1 (0.52) SMN1; SMN2ALDH1A1MAPTALOX15HDAC3
SCHEMBL1034504 0.81 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1MAPTALOX15HDAC3

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 SMN1; SMN2 2735/4885ALDH1A1 2326/4885MAPT 903/4885

“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.