SCHEMBL29392437

SCHEMBL29392437

COc1cc(C#N)c(N2CC(C)OC(C)C2)c(C#N)c1OC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 5/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
LRRK2 Q5S007 2/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32
ALOX12 P18054 1/20 0.32
RAB9A P51151 1/20 0.32
SUV39H2 Q9H5I1 2/20 0.32

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
SCHEMBL16969045 0.92 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL16969046 0.87 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL15535154 0.85 HPGD (0.38) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL15536492 0.84 HPGD (0.41) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL29391479 0.84 HPGD (0.41) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL15534880 0.84 TP53 (0.39) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL15535850 0.79 HPGD (0.37) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL15535684 0.78 MTNR1A (0.38) ALDH1A1MAPTHPGDTSHR
SCHEMBL15535598 0.78 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL15534883 0.77 MEN1 (0.46) KDM4EALDH1A1GAAHPGDTSHR

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-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 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-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT KDM4E 576/4885ALDH1A1 42/4885SMN1; SMN2 1535/4885

“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.