SCHEMBL715859

SCHEMBL715859

C(C=Cc1ccccn1)=Cc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.52
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
PTGS1 P23219 2/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NQO2 P16083 2/20 0.44
MAPT P10636 2/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR2 P34972 2/20 0.43
PTGS2 P35354 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL715858 1.00 RELA (0.52) RELAMEN1NPC1RAB9AKMT2A
SCHEMBL714159 0.89 RELA (0.60) RELAMEN1NPC1RAB9AKMT2A
SCHEMBL30379049 0.89 RELA (0.60) RELAMEN1NPC1RAB9AKMT2A
SCHEMBL714160 0.89 RELA (0.60) RELAMEN1NPC1RAB9AKMT2A
SCHEMBL709275 0.85 NPC1 (0.59) MEN1NPC1RAB9AKMT2AATM
SCHEMBL709276 0.85 NPC1 (0.59) MEN1NPC1RAB9AKMT2AATM
SCHEMBL11319283 0.83 RELA (0.71) RELAPTGS1ALDH1A1KDM4EL3MBTL1
SCHEMBL11319280 0.83 RELA (0.71) RELAPTGS1ALDH1A1KDM4EL3MBTL1
SCHEMBL12884279 0.82 NPC1 (0.59) RELAMEN1NPC1RAB9AKMT2A
SCHEMBL721182 0.79 MEN1 (0.79) MEN1NPC1RAB9AKMT2AATM

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 RELA 2662/4885MEN1 3997/4885NPC1 19/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 RELA 3456/4885MEN1 3163/4885NPC1 48/4885

“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.