SCHEMBL13879679

SCHEMBL13879679

O=C(/C=C/c1ccc(Sc2ccc(F)cc2)cc1C(F)(F)F)NCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ITGAL P20701 3/20 0.41
ITGB2 P05107 2/20 0.41
ICAM1 P05362 2/20 0.41
MAOB P27338 4/20 0.40
GAA P10253 1/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
MAOA P21397 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
LY96 Q9Y6Y9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL13879687 0.89 MAOB (0.40) SMN1; SMN2ITGALMAOBGAAMTNR1A
SCHEMBL13879615 0.84 GAA (0.52) SMN1; SMN2ITGALITGB2ICAM1GAA
SCHEMBL13879685 0.84 SMN1; SMN2 (0.41) SMN1; SMN2ITGALMAOBGAALMNA
SCHEMBL13879684 0.83 MAOB (0.39) SMN1; SMN2ITGALMAOBLMNAALDH1A1
SCHEMBL13879678 0.82 CYP3A4 (0.52) SMN1; SMN2LMNAALDH1A1KMT2AMAPT
SCHEMBL13879681 0.80 ITGB2 (0.51) ITGALITGB2ICAM1ALDH1A1MAPT
SCHEMBL13879686 0.80 ITGB2 (0.52) SMN1; SMN2ITGALITGB2ICAM1GAA
SCHEMBL13879675 0.76 ITGAL (0.40) ITGALMAOBLMNAALDH1A1PKM
SCHEMBL13879673 0.73 ITGAL (0.54) ITGALITGB2ICAM1LMNAALDH1A1
SCHEMBL13879620 0.73 ITGB2 (0.48) SMN1; SMN2ITGALITGB2ICAM1GAA

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 SMN1; SMN2 2091/4885ITGAL 4495/4885ITGB2 4487/4885

“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.