SCHEMBL4448098

SCHEMBL4448098

CN(c1ccccc1CO)c1ccccc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.43
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
SLC6A4 P31645 6/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A2 P23975 3/20 0.37
SIGMAR1 Q99720 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CYP2A6 P11509 1/20 0.34
CHEK1 O14757 1/20 0.34
NEK2 P51955 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
SCHEMBL9802567 0.87 HSP90AA1 (0.44) APOBEC3GPDCD1CD274SIGMAR1TSHR
SCHEMBL1674630 0.86 GAA (0.45) APOBEC3GPDCD1CD274SLC6A4CYP1A2
SCHEMBL19214712 0.84 PTPN1 (0.50) TSHRALDH1A1TP53GAAMAPT
SCHEMBL11021360 0.82 ESR1 (0.39) APOBEC3GPDCD1CD274SLC6A4TSHR
SCHEMBL308283 0.80 APOBEC3G (0.46) APOBEC3GPDCD1CD274SLC6A4SLC6A2
SCHEMBL8099691 0.78 MGLL (0.43) CYP1A2CYP2D6CYP2C19TSHRALDH1A1
SCHEMBL5317695 0.77 AR (0.46) APOBEC3GPDCD1CD274SIGMAR1TSHR
SCHEMBL7705866 0.77 ALDH1A1 (0.39) PDCD1CD274TSHRALDH1A1TP53
SCHEMBL9177862 0.77 TSPO (0.49) APOBEC3GPDCD1CD274SIGMAR1TSHR
SCHEMBL10432946 0.76 APOBEC3G (0.43) APOBEC3GPDCD1CD274SLC6A4SLC6A2

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 APOBEC3G 2840/4885PDCD1 3049/4885CD274 4340/4885

“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.