SCHEMBL2266775

SCHEMBL2266775

O=C(Cc1ccccc1)NCc1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
SRC P12931 1/20 0.43
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
CNR1 P21554 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
BACE1 P56817 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
EPHX2 P34913 1/20 0.40
PPARG P37231 1/20 0.40
CNR2 P34972 1/20 0.40
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL2266394 0.91 MTNR1A (0.43) ALDH1A1LMNACNR1RAB9ANPC1
SCHEMBL2263963 0.89 L3MBTL1 (0.43) ALDH1A1CNR1RAB9ANPC1EPHX2
SCHEMBL14944146 0.89 NPC1 (0.39) GRIA1GRIA2GRIA3GRIA4CNR1
SCHEMBL2263299 0.88 CNR1 (0.42) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2262250 0.87 EPHX2 (0.48) GRIA1GRIA2GRIA3GRIA4EPHX2
SCHEMBL2263399 0.85 PPARG (0.41) CNR1EPHX2PPARGELANE
SCHEMBL12390328 0.84 CNR1 (0.44) ALDH1A1LMNACNR1RAB9AEPHX2
SCHEMBL2263570 0.84 TP53 (0.43) ALDH1A1LMNACNR1EPHX2PPARG
SCHEMBL12366594 0.79 CNR1 (0.45) ALDH1A1LMNACNR1RAB9APPARG
Hydrochloric Acid SCHEMBL2262638 0.78 CNR1 (0.44) ALDH1A1LMNACNR1RAB9APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 ALDH1A1 2744/4885LMNA 695/4885SRC 1883/4885

“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.