SCHEMBL4438693

SCHEMBL4438693

OCc1cc(F)ccc1Sc1ccc2ccccc2c1CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.40
SLC6A2 P23975 4/20 0.40
NR3C1 P04150 1/20 0.37
NR3C2 P08235 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IFNAR1 P17181 1/20 0.35
SLC2A1 P11166 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
NPY1R P25929 1/20 0.35
MAPK1 P28482 1/20 0.35
NPY2R P49146 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL4440541 0.83 APOBEC3G (0.48) SLC6A4SLC6A2CYP1A2CYP2C9CYP2C19
SCHEMBL4437981 0.81 SLC6A4 (0.53) SLC6A4SLC6A2KDM4E
SCHEMBL4437710 0.80 APOBEC3G (0.52) SLC6A4SLC6A2
SCHEMBL3683836 0.78 HTT (0.49) SLC6A4SLC6A2CYP1A2CYP2C19HSD17B10
Bromide SCHEMBL4920739 0.77 HTT (0.48) CYP1A2CYP2C19HSD17B10ALDH1A1LMNA
SCHEMBL11709560 0.77 AGBL2 (0.50) SLC6A4SLC6A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4436403 0.75 SLC6A4 (0.48) SLC6A4SLC6A2KDM4E
SCHEMBL4440532 0.73 SLC6A4 (0.47) SLC6A4SLC6A2KDM4E
SCHEMBL4439390 0.73 SLC6A4 (0.47) SLC6A4SLC6A2KDM4E
SCHEMBL4448456 0.72 SLC6A4 (0.56) SLC6A4SLC6A2CYP2C9CYP2C19HSD17B10

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 247/4885NR3C1 1613/4885

“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.