SCHEMBL708168

SCHEMBL708168

COc1cc(/C=C/C=C/c2ccccn2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
NFE2L2 Q16236 2/20 0.40
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
IDH1 O75874 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GRM4 Q14833 2/20 0.37
AKT1 P31749 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL708169 1.00 NPC1 (0.44) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2959455 0.91 NPC1 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2959452 0.91 NPC1 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL28426947 0.81 XDH (0.49) MAPTKDM4EMAPK1NFE2L2LOX
SCHEMBL714376 0.80 NPC1 (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL714377 0.80 NPC1 (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2955136 0.79 CYP1A2 (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2955141 0.79 CYP1A2 (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL711202 0.79 NFE2L2 (0.56) MAPTNFE2L2
SCHEMBL709523 0.79 CYP1A1 (0.57) NPC1RAB9APTGS1PTGS2MAPT

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 NPC1 19/4885RAB9A 4723/4885MEN1 3997/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NPC1 48/4885RAB9A 4606/4885MEN1 3163/4885

“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.