SCHEMBL13879675

SCHEMBL13879675

CCN(CC)C(=O)/C=C/c1ccc(Sc2ccc(F)cc2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAOB P27338 2/20 0.34
CYP1A1 P04798 1/20 0.34

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
SCHEMBL4277195 0.84 NPC1 (0.41) ITGALL3MBTL1NPC1ALDH1A1MEN1
SCHEMBL4277188 0.84 NPC1 (0.41) ITGALL3MBTL1NPC1ALDH1A1MEN1
SCHEMBL13879679 0.76 SMN1; SMN2 (0.41) ITGALL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13879684 0.76 MAOB (0.39) ITGALL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL30584130 0.75 NFKB1 (0.62) L3MBTL1NPC1ALDH1A1MEN1KMT2A
SCHEMBL28506894 0.75 NFKB1 (0.62) L3MBTL1NPC1ALDH1A1MEN1KMT2A
SCHEMBL13879687 0.75 MAOB (0.40) ITGALL3MBTL1NPC1ALDH1A1MEN1
SCHEMBL13879682 0.75 ITGAL (0.56) ITGALALDH1A1LMNA
SCHEMBL13879685 0.74 SMN1; SMN2 (0.41) ITGALL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13879673 0.74 ITGAL (0.54) ITGALNPC1ALDH1A1MAPTLMNA

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 ITGAL 4495/4885L3MBTL1 1550/4885NPC1 680/4885

“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.