SCHEMBL710225

SCHEMBL710225

COc1ccnc(C=CC=Cc2ccccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.52
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL710224 1.00 NFE2L2 (0.52) NFE2L2RAB9ANPC1MEN1KMT2A
SCHEMBL711202 0.83 NFE2L2 (0.56) NFE2L2MAPTCYP1A2
SCHEMBL711201 0.83 NFE2L2 (0.56) NFE2L2MAPTCYP1A2
SCHEMBL710153 0.80 NPC1 (0.55) NFE2L2RAB9ANPC1MEN1KMT2A
SCHEMBL713803 0.80 RAB9A (0.48) NFE2L2RAB9ANPC1MEN1KMT2A
SCHEMBL713804 0.80 RAB9A (0.48) NFE2L2RAB9ANPC1MEN1KMT2A
SCHEMBL710154 0.80 NPC1 (0.55) NFE2L2RAB9ANPC1MEN1KMT2A
SCHEMBL29000588 0.80 TRPA1 (0.55) NFE2L2MEN1KMT2ACCR1CCR5
SCHEMBL721182 0.78 MEN1 (0.79) NFE2L2RAB9ANPC1MEN1KMT2A
SCHEMBL721181 0.78 MEN1 (0.79) NFE2L2RAB9ANPC1MEN1KMT2A

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 NFE2L2 576/4885RAB9A 4723/4885NPC1 19/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NFE2L2 1105/4885RAB9A 4606/4885NPC1 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.