SCHEMBL4440722

SCHEMBL4440722

Clc1ccc(CBr)c(Oc2ccccc2CBr)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.50
SLC6A2 P23975 12/20 0.50
SLC6A3 Q01959 11/20 0.50
KCNH2 Q12809 6/20 0.50
CHRM1 P11229 1/20 0.48
HTR2A P28223 6/20 0.42
CXCL8 P10145 1/20 0.39
CAMK2A Q9UQM7 1/20 0.37

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
SCHEMBL4448137 0.89 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KCNH2CHRM1
SCHEMBL6958628 0.86 SLC6A2 (0.66) SLC6A4SLC6A2SLC6A3KCNH2CHRM1
SCHEMBL22462745 0.84 CYP1A2 (0.53) SLC6A4KCNH2HTR2ACAMK2A
SCHEMBL4442267 0.83 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL4440731 0.82 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3HTR2ACXCL8
SCHEMBL7769553 0.79 SLC6A2 (0.61) SLC6A4SLC6A2SLC6A3CHRM1CXCL8
Formaldehyde SCHEMBL28293005 0.77 CXCL8 (0.42) SLC6A4SLC6A2SLC6A3CHRM1HTR2A
SCHEMBL4422704 0.76 TRPV4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL4437390 0.75 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3KCNH2CHRM1
SCHEMBL561548 0.75 SLC6A4 (0.51) SLC6A4

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 SLC6A4 724/4885SLC6A2 247/4885SLC6A3 233/4885

“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.