SCHEMBL4439313

SCHEMBL4439313

N#CCCc1ccccc1Sc1ccccc1CCC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
IFNAR1 P17181 1/20 0.39
SLC6A2 P23975 6/20 0.38
SLC6A4 P31645 6/20 0.38
SLC6A3 Q01959 4/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
APOBEC3G Q9HC16 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
FFAR1 O14842 1/20 0.33

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
SCHEMBL4444641 0.88 ATM (0.40) KMT2AMEN1IFNAR1SLC6A2SLC6A4
SCHEMBL8764227 0.82 MEN1 (0.52) KMT2AMEN1EGFRCYP1A2CYP1A1
SCHEMBL17714293 0.80 FFAR4 (0.40) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL4437147 0.78 ALDH1A1 (0.46) KMT2AMEN1IFNAR1SLC6A2SLC6A4
SCHEMBL29813313 0.77 ALDH1A1 (0.35) KMT2AMEN1EGFRLMNAAPOBEC3G
Hydrochloric Acid SCHEMBL4556353 0.77 ALDH1A1 (0.44) KMT2AMEN1IFNAR1SLC6A2SLC6A4
SCHEMBL1126551 0.77 MEN1 (0.43) KMT2AMEN1EGFRCYP1A2CYP1A1
SCHEMBL8763171 0.76 MEN1 (0.46) KMT2AMEN1EGFRCYP1A2CYP1A1
SCHEMBL1150682 0.72 MEN1 (0.43) KMT2AMEN1EGFRCYP1A2CYP1A1
SCHEMBL11337847 0.72 MEN1 (0.43) KMT2AMEN1SLC6A2SLC6A4EGFR

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 KMT2A 1723/4885MEN1 618/4885IFNAR1 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.