SCHEMBL23898697

SCHEMBL23898697

C=Cc1c(C2COC2)n(-c2ccc(F)c(C)c2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EDNRB P24530 4/20 0.41
EDNRA P25101 4/20 0.41
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 2/20 0.34
FFAR1 O14842 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.33
MAOB P27338 2/20 0.33
AS3MT Q9HBK9 1/20 0.33
HTR3A P46098 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL23898696 0.92 MEN1 (0.46) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL30176278 0.85 MEN1 (0.41) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL26603209 0.85 MEN1 (0.41) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL23898706 0.85 MEN1 (0.41) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL23886842 0.85 MEN1 (0.41) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL23898528 0.83 NPC1 (0.48) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL23898695 0.81 MEN1 (0.47) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL23886982 0.79 PDE2A (0.32) MEN1KMT2AEDNRBEDNRAHTT
SCHEMBL30176261 0.79 PDE2A (0.32) MEN1KMT2AEDNRBEDNRAHTT
SCHEMBL23898492 0.79 CNR1 (0.41) NPC1RAB9AMEN1KMT2AEDNRB

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 2 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
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 NPC1 369/4885RAB9A 3520/4885MEN1 1904/4885

“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.