SCHEMBL1034504

SCHEMBL1034504

O=C(Nc1cccc2ccc(-c3ccccc3)nc12)c1cnccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
ALOX15 P16050 2/20 0.62
TSHR P16473 2/20 0.62
MCL1 Q07820 1/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.52
GRM5 P41594 1/20 0.51

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
SCHEMBL1033349 0.94 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2ALOX15TSHRMCL1
SCHEMBL1033932 0.94 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2ALOX15TSHRMCL1
SCHEMBL1035032 0.85 BRAF (0.52) ALDH1A1SMN1; SMN2ALOX15TSHRMCL1
SCHEMBL17772298 0.85 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2ALOX15TSHRMCL1
SCHEMBL1029914 0.83 NPC1 (0.52) ALDH1A1SMN1; SMN2ALOX15TSHRMCL1
SCHEMBL18257224 0.82 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2ALOX15TSHRMCL1
SCHEMBL1034502 0.81 PIM1 (0.48) ALDH1A1SMN1; SMN2ALOX15TSHRMAPT
SCHEMBL18257157 0.81 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2ALOX15TSHRMCL1
SCHEMBL1031299 0.81 IRAK4 (0.52) ALDH1A1SMN1; SMN2ALOX15TSHRMCL1
SCHEMBL1032970 0.81 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2ALOX15TSHRMCL1

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 ALDH1A1 2326/4885SMN1; SMN2 2735/4885ALOX15 2360/4885

“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.