SCHEMBL23898550

SCHEMBL23898550

Cc1cc(-n2c(C3CC3)cc3cc(OCc4ccccc4)ccc32)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SRD5A2 P31213 1/20 0.42
MCHR1 Q99705 3/20 0.40
ALOX5 P09917 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
CYP2D6 P10635 2/20 0.37
EDNRB P24530 2/20 0.37
EDNRA P25101 2/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL30176364 0.93 MEN1 (0.43) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL23886827 0.93 MEN1 (0.43) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL30176352 0.92 NPC1 (0.42) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL23886763 0.92 NPC1 (0.42) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL23898552 0.90 NPC1 (0.42) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL23898368 0.84 KMT2A (0.41) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL30176272 0.82 NPC1 (0.50) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL23886942 0.82 NPC1 (0.50) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL23898666 0.82 MEN1 (0.39) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL23886885 0.80 SCN9A (0.47) NPC1RAB9AMEN1KMT2ASRD5A2

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.