SCHEMBL4437147

SCHEMBL4437147

N#CCc1ccccc1Sc1ccccc1CC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
IFNAR1 P17181 1/20 0.41
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 4/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
NPY1R P25929 1/20 0.36
MAPK1 P28482 1/20 0.36
NPY2R P49146 1/20 0.36

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
Hydrochloric Acid SCHEMBL4556353 0.98 ALDH1A1 (0.44) ALDH1A1HPGDIFNAR1SLC6A2SLC6A4
SCHEMBL10948855 0.89 CYP1A2 (0.56) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL8590717 0.88 CHRNA7 (0.49) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL943161 0.86 APOBEC3G (0.52) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL5659156 0.86 IFNAR1 (0.62) ALDH1A1HPGDIFNAR1LMNACYP1A2
SCHEMBL4438686 0.84 HPGD (0.55) ALDH1A1HPGDLMNACYP2C9CYP2C19
SCHEMBL1146206 0.83 CHRM2 (0.44) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL11252021 0.82 LMNA (0.44) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL953112 0.82 SLC6A4 (0.58) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL10952768 0.82 ALDH1A1 (0.69) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622227-A Biaryl and biheteroaryl compounds useful in treating iron disorders XENON PHARMACEUTICALS INC 2010-01-06 CN 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 ALDH1A1 844/4885HPGD 575/4885IFNAR1 3372/4885

“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.