SCHEMBL5941222

SCHEMBL5941222

Brc1cc(Br)cc(C[CH]Cc2cc(Br)ccc2Br)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
TLR9 Q9NR96 1/20 0.32
IDO1 P14902 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
SCHEMBL28323722 0.79 IDO1 (0.42) IDO1
SCHEMBL28879850 0.72 HSP90AA1 (0.41) HSP90AA1TLR9
SCHEMBL7131922 0.72 KMT2A (0.40) HSP90AA1TLR9
SCHEMBL6158512 0.72 HSP90AA1 (0.33) HSP90AA1TLR9IDO1
SCHEMBL28808700 0.68 HSP90AA1 (0.44) HSP90AA1TLR9
SCHEMBL1539490 0.66 HSP90AA1 (0.42) HSP90AA1TLR9
SCHEMBL1047305 0.65 PTGDR2 (0.47) HSP90AA1TLR9
SCHEMBL196777 0.65 HSP90AA1 (0.46) HSP90AA1TLR9
SCHEMBL1047304 0.65 HSP90AA1 (0.46) HSP90AA1TLR9
SCHEMBL14135669 0.65 HSP90AA1 (0.41) HSP90AA1TLR9IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B HSP90AA1 1110/4885TLR9 1654/4885IDO1 755/4885

“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.