SCHEMBL23898538

SCHEMBL23898538

N#Cc1c(C2CCCO2)n(-c2ccc(F)cc2)c2ccc(O)cc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
TDP2 O95551 1/20 0.32
ESRRB O95718 1/20 0.31
ESRRA P11474 1/20 0.31
ESR1 P03372 2/20 0.30
DHFR P00374 1/20 0.30

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
SCHEMBL23898530 0.89 GAA (0.38) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL23898361 0.84 KDM4E (0.36) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL23898531 0.83 KDM4E (0.37) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL30176384 0.83 SCN9A (0.36) ALDH1A1KDM4EGAAPOLBTDP2
SCHEMBL23887039 0.83 SCN9A (0.36) ALDH1A1KDM4EGAAPOLBTDP2
SCHEMBL23898532 0.79 KCNH2 (0.40) KDM4EGAATDP2
SCHEMBL23898537 0.78 KDM4E (0.35) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL23886667 0.74 KDM4E (0.40) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL23886821 0.74 POLB (0.47) KMT2AKDM4EGAAMEN1POLB
SCHEMBL30176326 0.74 POLB (0.47) KMT2AKDM4EGAAMEN1POLB

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 ALDH1A1 578/4885RXFP1 1506/4885KMT2A 4533/4885

“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.