SCHEMBL13596605

SCHEMBL13596605

N/C=N/Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.58
MAPT P10636 9/20 0.48
GAA P10253 7/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
LMNA P02545 3/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 4/20 0.43
CYP1A1 P04798 1/20 0.43
TSHR P16473 1/20 0.43
CYP1B1 Q16678 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
SENP7 Q9BQF6 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 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
SCHEMBL13109406 0.79 NOX1 (0.62) NOX1MAPTGAAMEN1KMT2A
SCHEMBL16111930 0.79 NOX1 (0.62) NOX1MAPTGAAMEN1KMT2A
SCHEMBL16111932 0.79 NOX1 (0.62) NOX1MAPTGAAMEN1KMT2A
SCHEMBL3074599 0.75 NOX1 (0.58) NOX1MAPTGAAMEN1KMT2A
SCHEMBL28226616 0.75 NOX1 (0.58) NOX1MAPTGAAMEN1KMT2A
SCHEMBL1005100 0.75 NOX1 (0.58) NOX1MAPTGAAMEN1KMT2A
SCHEMBL3074596 0.75 NOX1 (0.58) NOX1MAPTGAAMEN1KMT2A
SCHEMBL30457035 0.75 NOX1 (0.58) NOX1MAPTGAAMEN1KMT2A
SCHEMBL14199481 0.74 MAPT (0.61) MAPTGAAMEN1KMT2ARAB9A
SCHEMBL7453557 0.73 NOX1 (0.56) NOX1MAPTGAAMEN1KMT2A

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-20090318402-A1 RUTHENIUM (II) COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURG (GB) 2009-12-24 US disclosed
US-20090318402-A1 RUTHENIUM (II) COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURG (GB) 2009-12-24 US disclosed
WO-2007101997-A1 RUTHENIUM (II) COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2007-09-13 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-20090318402-A1 RUTHENIUM (II) COMPOUNDS NR0B1, NR0B2, NR2E1 NOX1 74/4885MAPT 4241/4885GAA 4850/4885

“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.