SCHEMBL4445129

SCHEMBL4445129

O=[N+]([O-])c1ccc(Oc2cc(Cl)ccc2CBr)c(CBr)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE7A Q13946 2/20 0.40
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CYP19A1 P11511 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HSPB1 P04792 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TBXA2R P21731 1/20 0.37

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
SCHEMBL4436471 0.93 TDP1 (0.44) ALDH1A1TDP1PDE7AHSD17B10MEN1
SCHEMBL4448437 0.93 ALDH1A1 (0.44) ALDH1A1TDP1PDE7AHSD17B10MEN1
SCHEMBL27795037 0.87 ALDH1A1 (0.39) ALDH1A1TDP1PDE7AHSD17B10MEN1
SCHEMBL4446580 0.79 HSPB1 (0.56) ALDH1A1TDP1KMT2ACYP19A1SLC6A4
SCHEMBL14089614 0.79 ALDH1A1 (0.44) ALDH1A1TDP1PDE7AHSD17B10MEN1
SCHEMBL23292590 0.76 MEN1 (0.53) ALDH1A1TDP1PDE7AHSD17B10MEN1
SCHEMBL30965503 0.76 MEN1 (0.53) ALDH1A1TDP1PDE7AHSD17B10MEN1
SCHEMBL3687161 0.76 CYP1A2 (0.50) ALDH1A1PDE7AMEN1KMT2AGAA
SCHEMBL4442267 0.76 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3
Bromide SCHEMBL4442756 0.75 IDO1 (0.50) ALDH1A1PDE7AMEN1KMT2AGAA

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
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 ALDH1A1 844/4885TDP1 3382/4885PDE7A 4256/4885

“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.