SCHEMBL4281920

SCHEMBL4281920

CCN(CC)C(=O)C=Cc1cc(C)c(Sc2ccc(F)cc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB2 P05107 3/20 0.36
ICAM1 P05362 3/20 0.36
ITGAL P20701 3/20 0.36
TRPM8 Q7Z2W7 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RHEB Q15382 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
AKR1B1 P15121 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL4281911 1.00 NPC1 (0.38) NPC1L3MBTL1ITGB2ICAM1ITGAL
SCHEMBL4277195 0.84 NPC1 (0.41) NPC1L3MBTL1ITGB2ICAM1ITGAL
SCHEMBL4277188 0.84 NPC1 (0.41) NPC1L3MBTL1ITGB2ICAM1ITGAL
SCHEMBL4277854 0.84 PTGES (0.45) ITGB2ICAM1ITGALMEN1ALDH1A1
SCHEMBL4277853 0.84 PTGES (0.45) ITGB2ICAM1ITGALMEN1ALDH1A1
SCHEMBL4286150 0.81 ALDH1A1 (0.41) NPC1L3MBTL1ITGALMEN1ALDH1A1
SCHEMBL4286153 0.81 ALDH1A1 (0.41) NPC1L3MBTL1ITGALMEN1ALDH1A1
SCHEMBL13879620 0.79 ITGB2 (0.48) L3MBTL1ITGB2ICAM1ITGALMAPK1
SCHEMBL4280122 0.78 GAA (0.44) NPC1L3MBTL1ITGB2ICAM1ITGAL
SCHEMBL13879626 0.78 LMNA (0.41) ITGB2ICAM1ITGALMEN1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 NPC1 680/4885L3MBTL1 1550/4885ITGB2 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.