SCHEMBL23898532

SCHEMBL23898532

N#Cc1c(C2CCNCC2)n(-c2ccc(F)cc2)c2ccc(O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
REN P00797 3/20 0.37
IKBKB O14920 3/20 0.34
TDP2 O95551 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33

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 0.92 KDM4E (0.37) RENTDP2KDM4EGAA
SCHEMBL23898361 0.90 KDM4E (0.36) RENTDP2KDM4EGAA
SCHEMBL23898537 0.89 KDM4E (0.35) KCNH2RENIKBKBTDP2KDM4E
SCHEMBL30176384 0.87 SCN9A (0.36) TDP2KDM4EGAA
SCHEMBL23887039 0.87 SCN9A (0.36) TDP2KDM4EGAA
SCHEMBL23898538 0.79 ALDH1A1 (0.34) TDP2KDM4EGAA
SCHEMBL23898541 0.78 GAA (0.44) KDM4EGAA
SCHEMBL23898535 0.78 POLB (0.47)
SCHEMBL23898529 0.76 GAA (0.42) KDM4EGAA
SCHEMBL23886667 0.75 KDM4E (0.40) RENTDP2KDM4EGAA

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 KCNH2 4058/4885REN 999/4885IKBKB 1505/4885

“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.