SCHEMBL29458074

SCHEMBL29458074

O=C(CC1(O)C(=O)Nc2ccccc21)c1cccc(Br)c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
F2 P00734 2/20 0.61
TP53 P04637 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
USP2 O75604 3/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TSHR P16473 1/20 0.58
MAPT P10636 3/20 0.57
LMNA P02545 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
HTT P42858 1/20 0.54
IDO1 P14902 1/20 0.53
TDO2 P48775 1/20 0.53
CBX7 O95931 1/20 0.53
CDYL Q9Y232 1/20 0.53
GAA P10253 1/20 0.51

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
SCHEMBL28449919 0.86 ALDH1A1 (0.69) ALDH1A1F2TP53SMN1; SMN2USP2
SCHEMBL29458112 0.86 ALDH1A1 (0.69) ALDH1A1F2TP53SMN1; SMN2USP2
SCHEMBL28609487 0.85 ALDH1A1 (0.69) ALDH1A1F2TP53SMN1; SMN2USP2
SCHEMBL29458128 0.85 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2USP2PKMHPGD
SCHEMBL3487734 0.85 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2USP2PKMHPGD
SCHEMBL13274391 0.85 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2USP2PKMHPGD
SCHEMBL29458100 0.85 ALDH1A1 (0.67) ALDH1A1F2TP53SMN1; SMN2USP2
SCHEMBL29458105 0.85 ALDH1A1 (0.67) ALDH1A1F2TP53SMN1; SMN2USP2
SCHEMBL29458146 0.85 ALDH1A1 (0.67) ALDH1A1F2TP53SMN1; SMN2USP2
SCHEMBL28452551 0.83 MMP9 (0.57) ALDH1A1F2TP53SMN1; SMN2USP2

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-11247982-B2 NMDA receptor modulators, compositions comprising same and use of these compounds in the treatment of diseases involving the central nervous system ADPUERIVITAM (FR) 2022-02-15 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-11247982-B2 NMDA receptor modulators, compositions comprising same and use of these compounds in the treatment of diseases involving the central nervous system GRIN3A, GRIN1, GRIN2A ALDH1A1 4396/4885F2 2415/4885TP53 2933/4885

“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.