SCHEMBL4448437

SCHEMBL4448437

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 3/20 0.40
PDE7A Q13946 1/20 0.40
HTT P42858 1/20 0.40
KCNMA1 Q12791 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSPB1 P04792 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
SCHEMBL4445129 0.93 ALDH1A1 (0.41) ALDH1A1TDP1HSD17B10CYP19A1PDE7A
SCHEMBL14089614 0.85 ALDH1A1 (0.44) ALDH1A1TDP1HSD17B10CYP19A1PDE7A
SCHEMBL4436471 0.85 TDP1 (0.44) ALDH1A1TDP1HSD17B10CYP19A1PDE7A
SCHEMBL27795037 0.82 ALDH1A1 (0.39) ALDH1A1TDP1HSD17B10CYP19A1PDE7A
SCHEMBL4518437 0.78 HTT (0.60) ALDH1A1TDP1CYP19A1HTTCYP1A2
SCHEMBL4445114 0.77 ALDH1A1 (0.53) ALDH1A1TDP1HSD17B10CYP19A1PDE7A
SCHEMBL3690757 0.77 CYP1A2 (0.53) ALDH1A1PDE7AHTTCYP1A2CYP2C9
SCHEMBL29672035 0.76 HSD17B10 (0.60) ALDH1A1TDP1HSD17B10PDE7ACYP1A2
SCHEMBL508763 0.76 HSD17B10 (0.60) ALDH1A1TDP1HSD17B10PDE7ACYP1A2
Bromide SCHEMBL4448810 0.76 IDO1 (0.53) ALDH1A1PDE7AHTTCYP1A2CYP2C9

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 3382/4885HSD17B10 414/4885

“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.