SCHEMBL23898696

SCHEMBL23898696

C=Cc1c(C2CC2)n(-c2ccc(F)c(C)c2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
MCHR1 Q99705 4/20 0.37
HRH3 Q9Y5N1 2/20 0.36
MTOR P42345 1/20 0.36
PRKDC P78527 1/20 0.36
CYP2D6 P10635 1/20 0.36
VCP P55072 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AS3MT Q9HBK9 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL23898697 0.92 NPC1 (0.43) MEN1NPC1RAB9AKMT2AEDNRB
SCHEMBL26603209 0.88 MEN1 (0.41) MEN1NPC1RAB9AKMT2AEDNRB
SCHEMBL30176278 0.88 MEN1 (0.41) MEN1NPC1RAB9AKMT2AEDNRB
SCHEMBL23898706 0.88 MEN1 (0.41) MEN1NPC1RAB9AKMT2AEDNRB
SCHEMBL23886842 0.88 MEN1 (0.41) MEN1NPC1RAB9AKMT2AEDNRB
SCHEMBL23898528 0.85 NPC1 (0.48) MEN1NPC1RAB9AKMT2AEDNRB
SCHEMBL23898695 0.84 MEN1 (0.47) MEN1NPC1RAB9AKMT2AEDNRB
SCHEMBL28995426 0.81 PLA2G2A (0.46) EDNRBEDNRA
SCHEMBL23886982 0.81 PDE2A (0.32) MEN1KMT2AEDNRBEDNRAALDH1A1
SCHEMBL23898492 0.81 CNR1 (0.41) MEN1NPC1RAB9AKMT2AEDNRB

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

“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.