SCHEMBL12840535

SCHEMBL12840535

CCC(C)C(=O)Nc1nc2c(nc1C=C(C)C)-c1ccccc1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.39
ALOX5 P09917 1/20 0.39
POLB P06746 2/20 0.38
KMT2A Q03164 6/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
KPNA2 P52292 1/20 0.38
PAX3 P23760 2/20 0.37
FOXO1 Q12778 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
LMNA P02545 3/20 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
SCHEMBL12840185 0.87 MEN1 (0.36) KMT2AKDM4EALDH1A1MEN1PAX3
SCHEMBL12839339 0.87 MEN1 (0.34) KMT2AMEN1PAX3FOXO1TSHR
SCHEMBL12840240 0.87 MEN1 (0.34) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL12840525 0.85 POLB (0.49) XIAPALOX5POLBKMT2AKDM4E
SCHEMBL12838730 0.85 RAB9A (0.42) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL12840526 0.85 ALOX5 (0.53) XIAPALOX5POLBKMT2AKDM4E
SCHEMBL12839700 0.84 KMT2A (0.43) XIAPALOX5POLBKMT2AKDM4E
SCHEMBL12840533 0.83 XIAP (0.42) XIAPALOX5POLBKMT2AKDM4E
SCHEMBL12839316 0.82 ADORA2A (0.44) XIAPALOX5POLBKMT2AKDM4E
SCHEMBL12840550 0.82 CYP1A2 (0.49) XIAPPOLBKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 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 (1 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-20110070656-A1 Fluorescent Proteins CACYBP, CHLSN, LCP2 XIAP 3165/4885ALOX5 3113/4885POLB 3291/4885

“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.