SCHEMBL22491399

SCHEMBL22491399

O=C1COc2ccc(C(=O)N3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)cc2N1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NR3C2 P08235 6/20 0.54
GLA P06280 1/20 0.53
MGLL Q99685 1/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.48
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL29734602 1.00 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL29869285 0.84 GAA (0.51) ALDH1A1MAPTNR3C2MGLLGAA
SCHEMBL22491550 0.84 GAA (0.51) ALDH1A1MAPTNR3C2MGLLGAA
SCHEMBL531974 0.84 PARP1 (0.62) ALDH1A1MAPTNR3C2MGLLGAA
SCHEMBL30541688 0.83 NR3C2 (0.56) ALDH1A1MEN1KMT2ANR3C2MGLL
SCHEMBL21097482 0.83 NR3C2 (0.56) ALDH1A1MEN1KMT2ANR3C2MGLL
SCHEMBL21098096 0.82 MGLL (0.57) ALDH1A1MAPTNR3C2MGLLGAA
SCHEMBL21061872 0.82 MGLL (0.59) ALDH1A1MEN1KMT2ANR3C2MGLL
SCHEMBL22491438 0.82 GAA (0.54) ALDH1A1MAPTNR3C2MGLLGAA
SCHEMBL21061846 0.82 MGLL (0.54) ALDH1A1MAPTNR3C2MGLLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US claimed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 EP claimed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US claimed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP claimed
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP 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 (2 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY ALDH1A1 231/4885MAPT 3857/4885KDM4E 1597/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY ALDH1A1 231/4885MAPT 3857/4885KDM4E 1597/4885

“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.