SCHEMBL4448092

SCHEMBL4448092

Cc1ccccc1C(=O)c1cc(F)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.53
MAPK13 O15264 4/20 0.53
MAPK12 P53778 4/20 0.53
MAPK11 Q15759 4/20 0.53
KMT2A Q03164 4/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
AVPR2 P30518 1/20 0.43
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ENPP3 O14638 1/20 0.42
ALPL P05186 1/20 0.42
XIAP P98170 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL14415777 0.90 CES2 (0.50) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL4438678 0.89 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL11114080 0.86 MAPK13 (0.55) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL11107952 0.84 LMNA (0.45) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL11101475 0.84 PTGS2 (0.51) MAPK14KMT2AMEN1NPC1POLB
SCHEMBL29387256 0.82 CYP3A4 (0.55) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL333141 0.82 CYP3A4 (0.55) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL11753699 0.81 TSHR (0.51) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL10669335 0.80 CYP3A4 (0.59) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL1584375 0.79 KMT2A (0.56) MAPK14MAPK13MAPK12MAPK11KMT2A

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 MAPK14 3985/4885MAPK13 2350/4885MAPK12 2749/4885

“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.