SCHEMBL14026680

SCHEMBL14026680

[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])nc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.45
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
NNMT P40261 1/20 0.32
CYP1A2 P05177 1/20 0.32
RECQL P46063 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL423183 0.81 PDE2A (0.61) PDE2ALMNASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL4436075 0.75 KMT2A (0.40) LMNASMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL4433293 0.72 LMNA (0.74) LMNASMN1; SMN2NNMTCYP1A2ALDH1A1
SCHEMBL8835612 0.71 PDE2A (0.52) PDE2ALMNASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL31539836 0.70 POLB (0.34) NNMTRECQLALDH1A1TSHR
SCHEMBL7052100 0.70 PDE2A (0.55) PDE2ALMNASMN1; SMN2CYP1A2RECQL
SCHEMBL29450819 0.70 PDE2A (0.55) PDE2ALMNASMN1; SMN2CYP1A2RECQL
SCHEMBL12701526 0.69 PDE2A (0.48) PDE2ALMNASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL25622911 0.68 PDE2A (0.53) PDE2ALMNASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL11744262 0.67 PDE2A (0.52) PDE2ALMNASMN1; SMN2L3MBTL1CYP1A2

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-20080262006-A1 Selective endothelin type-a antagonists CONCERT PHARMACEUTICALS, INC. 2008-10-23 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-20080262006-A1 Selective endothelin type-a antagonists EDNRA, EDNRB, ECE1 PDE2A 732/4885LMNA 1125/4885SMN1; SMN2 3421/4885

“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.