SCHEMBL4440541

SCHEMBL4440541

OCc1ccccc1Sc1ccc2ccccc2c1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.48
IFNAR1 P17181 1/20 0.46
SLC6A4 P31645 6/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
SLC6A2 P23975 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC2A1 P11166 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4438693 0.83 SLC6A4 (0.40) IFNAR1SLC6A4LMNAALDH1A1MAPK1
SCHEMBL5658941 0.82 IFNAR1 (0.65) APOBEC3GIFNAR1SLC6A4LMNAALDH1A1
SCHEMBL4442278 0.80 APOBEC3G (0.73) APOBEC3GIFNAR1SLC6A4LMNAALDH1A1
SCHEMBL3687722 0.75 HTT (0.58) IFNAR1LMNAALDH1A1MAPK1NPY1R
Bromide SCHEMBL4438773 0.74 HTT (0.57) IFNAR1LMNAALDH1A1MAPK1NPY1R
SCHEMBL1666585 0.74 HSD17B10 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL29832744 0.74 HSD17B10 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL5658428 0.72 APOBEC3G (0.52) APOBEC3GSLC6A4LMNAMAPK1SLC6A2
Naphthalene SCHEMBL17417169 0.72 HSD17B10 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL2608796 0.71 CYP1A2 (0.54) ALDH1A1SLC6A2CYP1A2CYP2C9CYP2C19

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 2840/4885IFNAR1 3372/4885SLC6A4 724/4885

“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.