SCHEMBL4149108

SCHEMBL4149108

Nc1nc(-c2cccc(OCc3ccccc3)c2)cc(=O)[nH]1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 12/20 0.77
BACE1 P56817 2/20 0.54
CDC7 O00311 1/20 0.53
MAOB P27338 1/20 0.50
NSD2 O96028 1/20 0.50
ABL1 P00519 1/20 0.50
PPARG P37231 1/20 0.50
RIN1 Q13671 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NCOR2 Q9Y618 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
SCHEMBL4149619 0.87 XDH (1.00) XDHBACE1
SCHEMBL2403432 0.79 XDH (1.00) XDHBACE1
SCHEMBL4146196 0.77 XDH (0.65) XDHBACE1
SCHEMBL1823306 0.77 PRKDC (0.58) XDHCDC7
SCHEMBL4142212 0.77 BACE1 (0.76) XDHBACE1MAOBL3MBTL1
SCHEMBL28514471 0.76 ACHE (0.60) XDHBACE1CDC7MAOB
SCHEMBL8598725 0.75 ALDH1A1 (0.55) BACE1MAOB
SCHEMBL9905389 0.75 PIK3CD (0.56) XDHBACE1CDC7MAOB
Bromide SCHEMBL8359230 0.74 ALDH1A1 (0.55) BACE1MAOB
SCHEMBL379281 0.74 MAOB (0.67) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
CN-101084198-A Substituted amino-pyrimidones and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN disclosed
CN-101084199-A Substituted amino-compounds and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN 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 (2 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 XDH 951/4885BACE1 3/4885CDC7 3735/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 XDH 259/4885BACE1 4/4885CDC7 2788/4885

“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.