SCHEMBL711534

SCHEMBL711534

FC(F)(F)c1ccc(C=CC=Cc2ccccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
AHR P35869 2/20 0.41
PTGS1 P23219 1/20 0.41
FBP1 P09467 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
NQO2 P16083 1/20 0.40
CYP1A1 P04798 1/20 0.40
MAOB P27338 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HDAC3 O15379 1/20 0.39
ADAM17 P78536 1/20 0.39
HDAC1 Q13547 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
SCHEMBL711533 1.00 MEN1 (0.48) MEN1NPC1RAB9AKMT2AATM
SCHEMBL715979 0.83 NFE2L2 (0.49) MEN1NPC1RAB9AKMT2AATM
SCHEMBL715978 0.83 NFE2L2 (0.49) MEN1NPC1RAB9AKMT2AATM
SCHEMBL716031 0.81 RAB9A (0.54) MEN1NPC1RAB9AKMT2AATM
SCHEMBL716032 0.81 RAB9A (0.54) MEN1NPC1RAB9AKMT2AATM
SCHEMBL708191 0.80 NPC1 (0.58) MEN1NPC1RAB9AKMT2AATM
SCHEMBL708190 0.80 NPC1 (0.58) MEN1NPC1RAB9AKMT2AATM
SCHEMBL708639 0.80 NPC1 (0.62) MEN1NPC1RAB9AKMT2AATM
SCHEMBL708638 0.80 NPC1 (0.62) MEN1NPC1RAB9AKMT2AATM
SCHEMBL9970464 0.80 CYP1A2 (0.59) CYP1A2AHRPTGS1FBP1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 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 (2 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB MEN1 3997/4885NPC1 19/4885RAB9A 4723/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 MEN1 3163/4885NPC1 48/4885RAB9A 4606/4885

“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.