SCHEMBL1034400

SCHEMBL1034400

O=C(Nc1nccs1)c1cccc2ncc(-c3ccccc3)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.64
HPGD P15428 3/20 0.64
MAPT P10636 3/20 0.64
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
HTT P42858 1/20 0.58
CYP1A2 P05177 1/20 0.57
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
MAPK8 P45983 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
POLB P06746 2/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MCL1 Q07820 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
SAE1 Q9UBE0 1/20 0.50

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
SCHEMBL1035300 0.86 LMNA (0.51) LMNAHPGDMAPTKMT2AMEN1
SCHEMBL1034301 0.84 HPGD (0.60) LMNAHPGDMAPTKMT2AMEN1
SCHEMBL1031038 0.84 LMNA (0.48) LMNAHPGDMAPTKMT2AMEN1
SCHEMBL1032829 0.81 CHRNB2 (0.61) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL8705639 0.80 CYP1A2 (0.62) LMNAHPGDMAPTKMT2AMEN1
SCHEMBL1035340 0.79 CYP2C9 (0.58) LMNAHPGDMAPTKMT2AMEN1
SCHEMBL1033853 0.78 NPC1 (0.52) LMNAHPGDMAPTKMT2AMEN1
SCHEMBL1034874 0.76 PARP1 (0.62) LMNAKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12673089 0.76 CYP1A2 (0.57) LMNAHPGDMAPTKMT2AMEN1
SCHEMBL1543050 0.74 HPGD (0.63) LMNAHPGDMAPTKMT2AMEN1

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 LMNA 3200/4885HPGD 359/4885MAPT 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.