SCHEMBL23898531

SCHEMBL23898531

N#Cc1c(C2CC2)n(-c2ccc(F)cc2)c2ccc(O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
TDP2 O95551 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GAA P10253 3/20 0.34
GFER P55789 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL23898361 0.95 KDM4E (0.36) KDM4ETDP2ADORA2AADORA1GAA
SCHEMBL23898532 0.92 KCNH2 (0.40) KDM4ETDP2GAAREN
SCHEMBL30176384 0.92 SCN9A (0.36) KDM4ETDP2GAAGFERPOLB
SCHEMBL23887039 0.92 SCN9A (0.36) KDM4ETDP2GAAGFERPOLB
SCHEMBL23898537 0.90 KDM4E (0.35) KDM4ETDP2GAAGFERPOLB
SCHEMBL23898538 0.83 ALDH1A1 (0.34) KDM4ETDP2GAAPOLBKMT2A
SCHEMBL23898541 0.83 GAA (0.44) KDM4EGAAGFERMAPTKMT2A
SCHEMBL23898535 0.83 POLB (0.47) POLBMAPTKMT2AMEN1LMNA
SCHEMBL23898529 0.80 GAA (0.42) KDM4EGAAGFERMAPTKMT2A
SCHEMBL23886821 0.80 POLB (0.47) KDM4ETDP2GAAGFERPOLB

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 KDM4E 4795/4885TDP2 3415/4885ADORA2A 2201/4885

“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.