SCHEMBL13879684

SCHEMBL13879684

O=C(/C=C/c1ccc(Sc2ccc(F)cc2)cc1C(F)(F)F)NC(CO)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
ITGAL P20701 1/20 0.37
MAOA P21397 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NOS2 P35228 5/20 0.35
NOS3 P29474 4/20 0.35
NOS1 P29475 4/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL13879679 0.83 SMN1; SMN2 (0.41) MAOBITGALMAOAMEN1KMT2A
SCHEMBL13879687 0.80 MAOB (0.40) MAOBITGALMAOAMEN1KMT2A
SCHEMBL13879675 0.76 ITGAL (0.40) MAOBITGALMAOAMEN1KMT2A
SCHEMBL13879685 0.75 SMN1; SMN2 (0.41) MAOBITGALMEN1KMT2ANOS2
SCHEMBL13879626 0.74 LMNA (0.41) ITGALMEN1KMT2ANOS2NOS3
SCHEMBL13879678 0.74 CYP3A4 (0.52) KMT2ACYP2C19ALDH1A1MAPTLMNA
SCHEMBL13879673 0.72 ITGAL (0.54) ITGALALDH1A1MAPTLMNAHPGD
SCHEMBL4283592 0.72 ITGAL (0.35) ITGALMEN1KMT2ACYP1A2CYP2C9
SCHEMBL4283586 0.72 ITGAL (0.35) ITGALMEN1KMT2ACYP1A2CYP2C9
SCHEMBL13879683 0.72 MAOB (0.53) MAOBMAOAMEN1KMT2ACYP1A2

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
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 WO 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 MAOB 2266/4885ITGAL 4495/4885MAOA 2811/4885

“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.