SCHEMBL4438716

SCHEMBL4438716

BrCc1cccc(CBr)c1-c1c(CBr)cccc1CBr

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 1/20 0.31
PNMT P11086 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL4155700 0.85 GABRA1 (0.35) GABRA1GABRB2TRPA1ALDH1A1TSHR
SCHEMBL4446828 0.81 TAAR1 (0.43) GABRA1GABRB2ALDH1A1TSHRTAAR1
SCHEMBL28289 0.79 TSHR (0.50) GABRA1GABRB2TRPA1ALDH1A1TSHR
SCHEMBL29382225 0.79 TSHR (0.50) GABRA1GABRB2TRPA1ALDH1A1TSHR
SCHEMBL4158266 0.79 TRPA1 (0.35) TRPA1ALDH1A1TSHR
SCHEMBL338177 0.78 GABRA1 (0.38) GABRA1GABRB2TRPA1ALDH1A1TSHR
SCHEMBL2141182 0.78 GABRA1 (0.38) GABRA1GABRB2TRPA1ALDH1A1TSHR
SCHEMBL6275225 0.78 GABRA1 (0.57) GABRA1GABRB2TRPA1ALDH1A1TSHR
SCHEMBL4016620 0.77 MAPT (0.45) ALDH1A1TSHRELANE
SCHEMBL4164788 0.77 MAOA (0.40) GABRA1GABRB2ALDH1A1TSHRELANE

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 GABRA1 3163/4885GABRB2 2905/4885TRPA1 4649/4885

“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.