SCHEMBL4448226

SCHEMBL4448226

O=C(O)c1cccc(CBr)c1-c1c(CBr)cccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
ALOX15 P16050 1/20 0.46
HMGB1 P09429 2/20 0.46
FOLH1 Q04609 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CLCN2 P51788 1/20 0.42
TSHR P16473 2/20 0.42
HNF4A P41235 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
MYC P01106 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL6782256 0.89 HNF4A (0.49) ALDH1A1ALOX15HMGB1FOLH1L3MBTL1
SCHEMBL445508 0.83 FOLH1 (0.59) ALDH1A1ALOX15HMGB1FOLH1MAPT
SCHEMBL30565103 0.83 FOLH1 (0.59) ALDH1A1ALOX15HMGB1FOLH1MAPT
SCHEMBL8384722 0.82 FOLH1 (0.47) ALDH1A1ALOX15HMGB1FOLH1CLCN2
SCHEMBL27897228 0.82 HMGB1 (0.62) ALDH1A1ALOX15HMGB1FOLH1LMNA
SCHEMBL4377020 0.82 ALDH1A1 (0.44) ALDH1A1ALOX15HMGB1FOLH1LMNA
SCHEMBL8885426 0.82 ALDH1A1 (0.44) ALDH1A1ALOX15HMGB1FOLH1MAPT
Hydrochloric Acid SCHEMBL3312470 0.81 FOLH1 (0.57) ALDH1A1ALOX15HMGB1FOLH1MAPT
SCHEMBL18983054 0.81 CLCN2 (0.56) ALDH1A1ALOX15HMGB1FOLH1L3MBTL1
SCHEMBL4368624 0.80 HMGB1 (0.43) ALDH1A1ALOX15HMGB1FOLH1MAPT

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 844/4885ALOX15 750/4885HMGB1 2469/4885

“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.