SCHEMBL1031073

SCHEMBL1031073

O=[N+]([O-])c1cccc2ccc(-c3ccccc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
PDE10A Q9Y233 1/20 0.54
PARP1 P09874 1/20 0.51
MAOA P21397 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE4A P27815 1/20 0.42

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
SCHEMBL1031979 0.88 PDE10A (0.55) MEN1KMT2APDE10ASMN1; SMN2HPGD
SCHEMBL1645512 0.86 PDE10A (0.50) MEN1KMT2APDE10AMAOASMN1; SMN2
SCHEMBL1033478 0.86 PDE10A (0.58) MEN1KMT2APDE10ASMN1; SMN2HPGD
SCHEMBL1035540 0.81 MEN1 (0.54) MEN1KMT2APDE10APARP1SMN1; SMN2
SCHEMBL1645511 0.80 ALDH1A1 (0.56) MEN1KMT2APDE10ASMN1; SMN2HPGD
SCHEMBL1034974 0.79 MEN1 (0.49) MEN1KMT2APDE10AMAOASMN1; SMN2
SCHEMBL1033797 0.78 XDH (0.46) MEN1KMT2APDE10ASMN1; SMN2HPGD
SCHEMBL17146625 0.77 KMT2A (0.49) MEN1KMT2APARP1SMN1; SMN2ALDH1A1
SCHEMBL38652651 0.75 TSHR (0.51) MEN1KMT2APARP1SMN1; SMN2ALDH1A1
SCHEMBL1035319 0.75 MEN1 (0.51) MEN1KMT2APDE10ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218542-A Chloro-4,7-phenylbenzene-1,10 phenanthrolines of a kind of 2,9-bis- DING YUQIN 2016-01-06 CN claimed
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
CN-105218542-A Chloro-4,7-phenylbenzene-1,10 phenanthrolines of a kind of 2,9-bis- DING YUQIN 2016-01-06 CN 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 MEN1 2841/4885KMT2A 997/4885PDE10A 3093/4885

“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.