SCHEMBL2809988

SCHEMBL2809988

[CH2]c1cc([CH2])c(Br)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
AHR P35869 1/20 0.32
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL9098591 0.93 AHR (0.35) APEX1CA1CA2CA4CA6
SCHEMBL19668005 0.77 APEX1 (0.32) APEX1
SCHEMBL15351651 0.73 CYP2A6 (0.44) CA1CA2CYP3A4TSHRTDP1
SCHEMBL356698 0.71 AHR (0.50) APEX1CA1CA2CA4CA6
SCHEMBL396569 0.70
SCHEMBL4824076 0.70
SCHEMBL6130255 0.69 APEX1 (0.44) APEX1CA1CA2CA4CA6
SCHEMBL1310830 0.66
SCHEMBL8082631 0.66
SCHEMBL6554071 0.66

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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH APEX1 558/4885CA1 2184/4885CA2 732/4885

“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.