SCHEMBL4436471

SCHEMBL4436471

O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2CBr)c(CBr)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PDE7A Q13946 2/20 0.43
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP19A1 P11511 2/20 0.40
HSPB1 P04792 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TBXA2R P21731 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4445129 0.93 ALDH1A1 (0.41) TDP1ALDH1A1PDE7AHSD17B10KMT2A
SCHEMBL4448437 0.85 ALDH1A1 (0.44) TDP1ALDH1A1PDE7AHSD17B10KMT2A
SCHEMBL27795037 0.82 ALDH1A1 (0.39) TDP1ALDH1A1PDE7AHSD17B10KMT2A
SCHEMBL4446580 0.82 HSPB1 (0.56) TDP1ALDH1A1KMT2ACYP19A1HSPB1
SCHEMBL23292590 0.79 MEN1 (0.53) TDP1ALDH1A1PDE7AHSD17B10KMT2A
SCHEMBL30965503 0.79 MEN1 (0.53) TDP1ALDH1A1PDE7AHSD17B10KMT2A
SCHEMBL10409437 0.78 HSPB1 (0.43) TDP1ALDH1A1PDE7AKMT2AMEN1
SCHEMBL922726 0.78 TDP1 (0.58) TDP1ALDH1A1KMT2AMEN1CYP19A1
SCHEMBL29560265 0.78 TDP1 (0.58) TDP1ALDH1A1KMT2AMEN1CYP19A1
SCHEMBL4521878 0.78 TDP1 (0.43) TDP1ALDH1A1HSD17B10KMT2AMEN1

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 TDP1 3382/4885ALDH1A1 844/4885PDE7A 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.