SCHEMBL23898529

SCHEMBL23898529

N#Cc1c(C2CCOCC2)n(-c2ccccc2)c2ccc(O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3CA P42336 2/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL23898541 0.90 GAA (0.44) GAAGFERTSHRNPSR1HPGD
SCHEMBL23887039 0.89 SCN9A (0.36) GAAGFERTSHRNPSR1LMNA
SCHEMBL30176384 0.89 SCN9A (0.36) GAAGFERTSHRNPSR1LMNA
SCHEMBL23898530 0.82 GAA (0.38) GAAGFERTSHRNPSR1HPGD
SCHEMBL23898531 0.80 KDM4E (0.37) GAAGFERLMNAHTTSMN1; SMN2
SCHEMBL23898361 0.78 KDM4E (0.36) GAAGFERLMNAHTTSMN1; SMN2
SCHEMBL23886826 0.77 AS3MT (0.47) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL30176308 0.77 AS3MT (0.47) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL23898502 0.76 GAA (0.44) GAAGFERTSHRNPSR1HPGD
SCHEMBL23898532 0.76 KCNH2 (0.40) GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-10-26 US disclosed
US-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-10-26 US disclosed
WO-2021203007-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO 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-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 GAA 139/4885GFER 2801/4885TSHR 1985/4885

“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.