SCHEMBL4444641

SCHEMBL4444641

N#CCCCc1ccccc1Sc1ccccc1CCCC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IFNAR1 P17181 1/20 0.37
SLC6A4 P31645 5/20 0.36
KMT2A Q03164 2/20 0.36
MPO P05164 1/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A3 Q01959 3/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
P4HB P07237 1/20 0.34
EGFR P00533 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPY1R P25929 1/20 0.33
MAPK1 P28482 1/20 0.33
NPY2R P49146 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
SCHEMBL4439313 0.88 KMT2A (0.42) IFNAR1SLC6A4KMT2ASLC6A2SLC6A3
SCHEMBL4437147 0.75 ALDH1A1 (0.46) IFNAR1SLC6A4KMT2ASLC6A2SLC6A3
SCHEMBL8648514 0.74 ATM (0.45) ATML3MBTL1SLC6A4KMT2AMPO
SCHEMBL6770101 0.74 ATM (0.41) ATML3MBTL1SLC6A4KMT2AMPO
SCHEMBL6999612 0.74 MPO (0.50) ATML3MBTL1SLC6A4MPO
SCHEMBL2546800 0.74 TAAR1 (0.50) ATML3MBTL1SLC6A4KMT2AMPO
SCHEMBL1151026 0.74 TAAR1 (0.50) ATML3MBTL1SLC6A4KMT2AMPO
SCHEMBL1150773 0.74 TAAR1 (0.50) ATML3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL8852219 0.74 ATM (0.41) ATML3MBTL1SLC6A4KMT2AMPO
SCHEMBL1150149 0.74 ATM (0.41) ATML3MBTL1SLC6A4KMT2AMPO

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 ATM 4711/4885L3MBTL1 1450/4885IFNAR1 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.