SCHEMBL23898537

SCHEMBL23898537

N#Cc1c(C2CNC2)n(-c2ccc(F)cc2)c2ccc(O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
REN P00797 2/20 0.34
TDP2 O95551 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
GAA P10253 3/20 0.32
GFER P55789 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 3/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
IKBKB O14920 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL23898531 0.90 KDM4E (0.37) KDM4ERENTDP2GAAGFER
SCHEMBL23898532 0.89 KCNH2 (0.40) KDM4ERENTDP2GAAIKBKB
SCHEMBL23898361 0.87 KDM4E (0.36) KDM4ERENTDP2GAAGFER
SCHEMBL30176384 0.84 SCN9A (0.36) KDM4ETDP2GAAGFERPOLB
SCHEMBL23887039 0.84 SCN9A (0.36) KDM4ETDP2GAAGFERPOLB
SCHEMBL23898538 0.78 ALDH1A1 (0.34) KDM4ETDP2GAAPOLBKMT2A
SCHEMBL23886667 0.77 KDM4E (0.40) KDM4ERENTDP2GAAGFER
SCHEMBL23886821 0.77 POLB (0.47) KDM4ETDP2GAAGFERPOLB
SCHEMBL30337920 0.77 KDM4E (0.40) KDM4ERENTDP2GAAGFER
SCHEMBL30176326 0.77 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 4795/4885REN 999/4885TDP2 3415/4885

“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.