SCHEMBL15322849

SCHEMBL15322849

COc1ccc(/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1.[Ir]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.54
RAB9A P51151 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPC1 O15118 3/20 0.52
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
HGFAC Q04756 1/20 0.51
GAA P10253 4/20 0.50
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
APP P05067 1/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
PLAU P00749 1/20 0.47
HTT P42858 3/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MITF O75030 1/20 0.46

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
SCHEMBL15322852 1.00 NOS1 (0.54) NOS1RAB9AMEN1KMT2ANPC1
SCHEMBL15323282 0.84 NOS3 (0.62) NOS1RAB9AMEN1KMT2ANPC1
SCHEMBL15323278 0.84 NOS3 (0.62) NOS1RAB9AMEN1KMT2ANPC1
SCHEMBL15323697 0.84 MAPT (0.57) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL15323693 0.84 MAPT (0.57) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL15322435 0.84 KMT2A (0.61) NOS1RAB9AMEN1KMT2ANPC1
SCHEMBL15322433 0.84 KMT2A (0.61) NOS1RAB9AMEN1KMT2ANPC1
SCHEMBL9423004 0.83 RAB9A (0.52) NOS1RAB9AMEN1KMT2ANPC1
SCHEMBL9423002 0.83 RAB9A (0.52) NOS1RAB9AMEN1KMT2ANPC1
SCHEMBL24105687 0.83 NOS3 (0.64) NOS1RAB9AMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150073165-A1 CATALYST COMPOUNDS THE UNIVIERSITY OF LIVERPOOL (GB) 2015-03-12 US disclosed
EP-2836496-A1 CATALYST COMPOUNDS The University of Liverpool (GB) 2015-02-18 EP disclosed
WO-2013153408-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2013-10-17 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-20150073165-A1 CATALYST COMPOUNDS NQO1, IDH2, IDH3B NOS1 602/4885RAB9A 1020/4885MEN1 262/4885

“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.