SCHEMBL439468

SCHEMBL439468

CCOC(=O)C1CCn2cc(-c3ccccc3)nc2C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.45
PDE10A Q9Y233 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL408909 0.83 WDR5 (0.52) MEN1KMT2AKDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL441011 0.82 WDR5 (0.51) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL408908 0.78 KMT2A (0.46) PKMMEN1KMT2AKDM4EALDH1A1
SCHEMBL24493337 0.77 ALDH1A1 (0.45) PKMNPSR1MEN1KMT2AKDM4E
SCHEMBL8985203 0.72 CYP2C19 (0.46) PKMNPSR1MEN1KMT2AKDM4E
SCHEMBL16003614 0.71 ALDH1A1 (0.56) PKMMEN1KMT2AKDM4EALDH1A1
SCHEMBL20842474 0.70 WDR5 (0.52) MEN1KMT2AKDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL16341562 0.70 ALDH1A1 (0.55) PKMMEN1KMT2AKDM4EALDH1A1
SCHEMBL1753072 0.70 MAPT (0.55) PKMNPSR1MEN1KMT2AKDM4E
SCHEMBL31133127 0.69 KMT2A (0.49) PKMKMT2AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT PKM 1657/4885NPSR1 2899/4885MEN1 4411/4885

“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.