SCHEMBL408909

SCHEMBL408909

O=C(O)C1CCn2cc(-c3ccccc3)nc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
P2RX7 Q99572 2/20 0.47
PDE10A Q9Y233 6/20 0.47
NEK2 P51955 1/20 0.46
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NCOR2 Q9Y618 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
Hydrochloric Acid SCHEMBL441011 0.99 WDR5 (0.51) WDR5ALDH1A1KDM4ENPC1LMNA
SCHEMBL439468 0.83 PKM (0.48) ALDH1A1KDM4EHTTPDE10AMEN1
SCHEMBL16003614 0.78 ALDH1A1 (0.56) WDR5ALDH1A1KDM4ENPC1LMNA
SCHEMBL463267 0.78 WDR5 (0.52) WDR5ALDH1A1KDM4ENPC1LMNA
Hydrochloric Acid SCHEMBL16341562 0.77 ALDH1A1 (0.55) WDR5ALDH1A1KDM4ENPC1LMNA
Hydrochloric Acid SCHEMBL440262 0.77 WDR5 (0.51) WDR5ALDH1A1KDM4ENPC1LMNA
SCHEMBL29119706 0.77 KDM4E (0.48) ALDH1A1KDM4ELMNAHTTP2RX7
SCHEMBL20842474 0.75 WDR5 (0.52) WDR5ALDH1A1KDM4ENPC1LMNA
SCHEMBL16699926 0.74 WDR5 (0.43) WDR5ALDH1A1KDM4ENPC1LMNA
SCHEMBL16003887 0.73 PDE10A (0.45) ALDH1A1KDM4ELMNAPDE10ANEK2

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
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT WDR5 3363/4885ALDH1A1 272/4885KDM4E 2452/4885

“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.