SCHEMBL4155700

SCHEMBL4155700

BrCc1cccc2c1-c1c(CBr)cccc1-2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.35
GABRB2 P47870 3/20 0.35
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL4164788 0.85 MAOA (0.40) GABRA1GABRB2ALDH1A1TSHR
SCHEMBL4016620 0.85 MAPT (0.45) ALDH1A1TSHR
SCHEMBL4438716 0.85 GABRA1 (0.39) GABRA1GABRB2TRPA1ALDH1A1TSHR
SCHEMBL16201010 0.80 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL1309790 0.77 ALDH1A1 (0.43) GABRA1GABRB2TRPA1ALDH1A1TSHR
SCHEMBL4063781 0.75 ALOX15 (0.44) GABRA1GABRB2TRPA1ALDH1A1TSHR
SCHEMBL5013717 0.75 ADORA2A (0.52) ALDH1A1TSHR
SCHEMBL2886076 0.74 IDO1 (0.40) TRPA1ALDH1A1TSHR
SCHEMBL10892049 0.74 ALDH1A1 (0.41) GABRA1GABRB2TRPA1ALDH1A1TSHR
SCHEMBL25194164 0.74 FOLH1 (0.44) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH GABRA1 4623/4885GABRB2 4698/4885TRPA1 3182/4885

“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.