SCHEMBL23898684

SCHEMBL23898684

Cc1cc(-n2c(C)c(C#N)c3cc(OCc4ccccc4)cc(Br)c32)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AS3MT Q9HBK9 3/20 0.40
NSD2 O96028 1/20 0.37
MAOB P27338 3/20 0.37
MAOA P21397 1/20 0.37
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RHEB Q15382 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
GRM5 P41594 1/20 0.33
STAT3 P40763 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
SCHEMBL23898683 0.81 AS3MT (0.38) AS3MTMAOBMAOAMEN1NPC1
SCHEMBL30176274 0.80 ESR1 (0.34) KDM4EHSD17B10LMNATSHR
SCHEMBL23886831 0.80 ESR1 (0.34) KDM4EHSD17B10LMNATSHR
SCHEMBL23886810 0.76 AS3MT (0.42) AS3MTNSD2MAOBMAOANPC1
SCHEMBL30176398 0.76 AS3MT (0.42) AS3MTNSD2MAOBMAOANPC1
SCHEMBL30337781 0.72 KDM4E (0.35) HTTKDM4EALDH1A1HSD17B10LMNA
SCHEMBL23886938 0.72 KDM4E (0.35) HTTKDM4EALDH1A1HSD17B10LMNA
SCHEMBL30176388 0.71 MRGPRX4 (0.35) AS3MTHTTLMNAMAPTTSHR
SCHEMBL23886672 0.71 MRGPRX4 (0.35) AS3MTHTTLMNAMAPTTSHR
SCHEMBL26652990 0.70 KDM4E (0.36) KMT2AHTTKDM4EALDH1A1HSD17B10

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 5 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
CN-115916749-A Substituted 5-hydroxyindole compounds as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2023-04-04 CN disclosed
EP-4126817-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2023-02-08 EP 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 AS3MT 1880/4885NSD2 2576/4885MAOB 1879/4885

“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.