SCHEMBL23898528

SCHEMBL23898528

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.37
PKM P14618 2/20 0.37
MAOB P27338 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
AS3MT Q9HBK9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
DYRK1A Q13627 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 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
SCHEMBL23898695 0.87 MEN1 (0.47) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL23898696 0.85 MEN1 (0.46) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL23898697 0.83 NPC1 (0.43) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL30176278 0.80 MEN1 (0.41) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL26603209 0.80 MEN1 (0.41) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL23898706 0.80 MEN1 (0.41) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL23886842 0.80 MEN1 (0.41) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL26653202 0.80 MEN1 (0.32) RAB9AMEN1KMT2AMAPTTP53
SCHEMBL23886650 0.79 NPC1 (0.57) NPC1RAB9AMEN1KMT2AEDNRB
SCHEMBL30176323 0.79 NPC1 (0.57) 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.