SCHEMBL4446608

SCHEMBL4446608

OCc1ccccc1Sc1ccc(C(F)(F)F)cc1CO

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.53
SLC6A2 P23975 9/20 0.53
SLC6A3 Q01959 4/20 0.53
APOBEC3G Q9HC16 1/20 0.47
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL8530833 0.88 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3LMNAMAPT
SCHEMBL8530914 0.87 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3LMNACYP3A4
SCHEMBL11710235 0.87 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9544114 0.86 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3LMNACYP3A4
SCHEMBL4440712 0.84 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3
SCHEMBL18795662 0.80 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3APOBEC3GLMNA
SCHEMBL4442278 0.78 APOBEC3G (0.73) SLC6A4SLC6A2SLC6A3APOBEC3GLMNA
SCHEMBL4437710 0.78 APOBEC3G (0.52) SLC6A4SLC6A2SLC6A3APOBEC3G
SCHEMBL28325174 0.77 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3APOBEC3GLMNA
SCHEMBL8531567 0.76 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3APOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622227-A Biaryl and biheteroaryl compounds useful in treating iron disorders XENON PHARMACEUTICALS INC 2010-01-06 CN disclosed
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.