SCHEMBL13879620

SCHEMBL13879620

Cc1cc(/C=C/C(=O)NCCO)c(Cl)cc1Sc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 5/20 0.48
ICAM1 P05362 5/20 0.48
ITGAL P20701 5/20 0.48
GAA P10253 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
PYGL P06737 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL4280124 0.91 GAA (0.44) ITGB2ICAM1ITGALGAAMEN1
SCHEMBL4280122 0.91 GAA (0.44) ITGB2ICAM1ITGALGAAMEN1
SCHEMBL13879612 0.87 GAA (0.41) ITGB2ICAM1ITGALGAAMEN1
SCHEMBL13879626 0.84 LMNA (0.41) ITGB2ICAM1ITGALGAAMEN1
SCHEMBL13879615 0.84 GAA (0.52) ITGB2ICAM1ITGALGAAMEN1
SCHEMBL13879619 0.83 CYP3A4 (0.56) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL4277853 0.82 PTGES (0.45) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL4277854 0.82 PTGES (0.45) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL4286150 0.81 ALDH1A1 (0.41) ITGALMEN1KMT2ALMNAHPGD
SCHEMBL4286153 0.81 ALDH1A1 (0.41) ITGALMEN1KMT2ALMNAHPGD

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 ITGB2 4487/4885ICAM1 2947/4885ITGAL 4495/4885

“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.