SCHEMBL4504337

SCHEMBL4504337

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

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XDH P47989 15/20 0.69
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HK1 P19367 1/20 0.50
RAB9A P51151 1/20 0.50
HKDC1 Q2TB90 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
SCHEMBL2403432 0.82 XDH (1.00) XDH
SCHEMBL2881243 0.78 XDH (1.00) XDH
SCHEMBL1399849 0.77 ALDH1A1 (0.56) XDHALDH1A1MAPTHPGDHK1
SCHEMBL5392045 0.74 GSK3B (0.72) XDHALDH1A1HPGDRAB9A
SCHEMBL4136769 0.74 BACE1 (0.72) XDHHPGD
SCHEMBL3328576 0.74 PTGES (0.47)
SCHEMBL5381098 0.73 XDH (0.72) XDH
SCHEMBL4142364 0.73 XDH (0.61) XDH
SCHEMBL4149108 0.73 XDH (0.77) XDH
SCHEMBL4150133 0.72 BACE1 (0.57) XDHHPGD

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 5 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
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
EP-1802587-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 XDH 951/4885ALDH1A1 2591/4885MAPT 5/4885

“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.