SCHEMBL3689869

SCHEMBL3689869

N=C(N)CCCc1ccccc1Sc1ccccc1CCCC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 3/20 0.37
P4HB P07237 1/20 0.36
HTT P42858 3/20 0.35
TAAR1 Q96RJ0 3/20 0.35
NOS1 P29475 2/20 0.35
IDO1 P14902 2/20 0.35
IFNAR1 P17181 1/20 0.35
APOBEC3G Q9HC16 1/20 0.34
HPGD P15428 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPY1R P25929 1/20 0.34
MAPK1 P28482 1/20 0.34
NPY2R P49146 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
SCHEMBL3680160 0.89 LMNA (0.45) LMNASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL14089533 0.85 LMNA (0.34) LMNASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL3684854 0.77 LMNA (0.64) LMNASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL14068683 0.75 NOS1 (0.59) LMNASMN1; SMN2HTTTAAR1NOS1
SCHEMBL3683980 0.74 IFNAR1 (0.36) LMNASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL14068781 0.74 MTNR1A (0.44) LMNASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL6299272 0.71 SLC6A4 (0.38) LMNASLC6A2SLC6A4SLC6A3IFNAR1
SCHEMBL1576764 0.71 LIPG (0.46) LMNASLC6A2SLC6A4SLC6A3IFNAR1
SCHEMBL21485091 0.71 NOS1 (0.58) LMNASMN1; SMN2SLC6A3NOS1IDO1
SCHEMBL6535453 0.71 TAAR1 (0.54) SLC6A4P4HBTAAR1IDO1

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 10 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
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
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US 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 LMNA 1202/4885SMN1; SMN2 1564/4885SLC6A2 247/4885

“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.