SCHEMBL721182

SCHEMBL721182

C(C=Cc1ccccn1)=Cc1ccccn1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.79
NPC1 O15118 2/20 0.79
RAB9A P51151 2/20 0.79
KMT2A Q03164 2/20 0.79
ATM Q13315 1/20 0.79
NR4A1 P22736 1/20 0.52
GRM4 Q14833 1/20 0.52
MAOA P21397 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NFE2L2 Q16236 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
METAP1 P53582 1/20 0.46

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
SCHEMBL721181 1.00 MEN1 (0.79) MEN1NPC1RAB9AKMT2AATM
SCHEMBL708570 0.97 MEN1 (0.75) MEN1NPC1RAB9AKMT2AATM
SCHEMBL708571 0.97 MEN1 (0.75) MEN1NPC1RAB9AKMT2AATM
SCHEMBL708638 0.89 NPC1 (0.62) MEN1NPC1RAB9AKMT2AATM
SCHEMBL27626841 0.89 MEN1 (0.62) MEN1NPC1RAB9AKMT2AATM
SCHEMBL2631576 0.89 NPC1 (0.62) MEN1NPC1RAB9AKMT2AATM
SCHEMBL6226613 0.89 MEN1 (0.62) MEN1NPC1RAB9AKMT2AATM
SCHEMBL708639 0.89 NPC1 (0.62) MEN1NPC1RAB9AKMT2AATM
SCHEMBL229328 0.88 NPC1 (1.00) MEN1NPC1RAB9AKMT2AATM
SCHEMBL9394256 0.88 NPC1 (1.00) 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 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.