SCHEMBL3683980

SCHEMBL3683980

N#CNC(=N)CCCc1ccccc1Sc1ccccc1CCCC(=N)NC#N

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IFNAR1 P17181 1/20 0.36
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NPY1R P25929 1/20 0.30
MAPK1 P28482 1/20 0.30
NPY2R P49146 1/20 0.30

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
SCHEMBL3692854 0.91 IFNAR1 (0.38) IFNAR1LMNASMN1; SMN2RECQLSLC6A2
SCHEMBL3686474 0.81 IFNAR1 (0.43) IFNAR1LMNASMN1; SMN2RECQLSLC6A2
SCHEMBL3689869 0.74 LMNA (0.43) IFNAR1LMNASMN1; SMN2SLC6A2SLC6A4
SCHEMBL14089533 0.71 LMNA (0.34) IFNAR1LMNASMN1; SMN2SLC6A2SLC6A4
SCHEMBL4444641 0.71 ATM (0.40) IFNAR1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3680160 0.67 LMNA (0.45) IFNAR1LMNASMN1; SMN2SLC6A2SLC6A4
SCHEMBL4439313 0.67 KMT2A (0.42) IFNAR1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL6299272 0.64 SLC6A4 (0.38) IFNAR1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL1576764 0.64 LIPG (0.46) IFNAR1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL10455675 0.64 LMNA (0.42) IFNAR1LMNASMN1; SMN2SLC6A2SLC6A4

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 7 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 claimed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO claimed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US claimed
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO 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 IFNAR1 3372/4885LMNA 1202/4885SMN1; SMN2 1564/4885

“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.