SCHEMBL15322907

SCHEMBL15322907

COc1ccc(N=C(C)c2ccccc2)cc1.[Ir]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.56
MAPT P10636 5/20 0.54
PKM P14618 1/20 0.54
CDK5 Q00535 1/20 0.54
CDK5R1 Q15078 1/20 0.54
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
NFKB1 P19838 1/20 0.52
CASP3 P42574 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
HTR3E A5X5Y0 1/20 0.52

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
SCHEMBL15322903 1.00 NOS3 (0.56) NOS3MAPTPKMCDK5CDK5R1
SCHEMBL3179816 0.98 NOS3 (0.58) NOS3MAPTPKMCDK5CDK5R1
SCHEMBL15136973 0.98 NOS3 (0.58) NOS3MAPTPKMCDK5CDK5R1
SCHEMBL12629405 0.98 NOS3 (0.58) NOS3MAPTPKMCDK5CDK5R1
SCHEMBL18025534 0.91 MAPT (0.55) NOS3MAPTPKMCDK5CDK5R1
SCHEMBL15323282 0.91 NOS3 (0.62) NOS3MAPTPKMCDK5CDK5R1
SCHEMBL15323278 0.91 NOS3 (0.62) NOS3MAPTPKMCDK5CDK5R1
SCHEMBL16553290 0.90 NOS3 (0.50) NOS3MAPTPKMCDK5CDK5R1
SCHEMBL16553289 0.90 NOS3 (0.50) NOS3MAPTPKMCDK5CDK5R1
SCHEMBL24105687 0.89 NOS3 (0.64) NOS3MAPTPKMCDK5CDK5R1

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 NOS3 979/4885MAPT 3930/4885PKM 1534/4885

“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.