SCHEMBL25544900

SCHEMBL25544900

COCC(C)c1c(N[C@@H](C)C(=O)OCc2ccccc2)nc2cc(C)ccc2c1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.45
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE10A Q9Y233 1/20 0.37
TACR3 P29371 1/20 0.36
CTNNB1 P35222 5/20 0.35
TCF7L2 Q9NQB0 5/20 0.35
GRM2 Q14416 1/20 0.35
MGLL Q99685 1/20 0.35
NPR1 P16066 2/20 0.34
TRPC3 Q13507 1/20 0.34
TRPC7 Q9HCX4 1/20 0.34
EGLN1 Q9GZT9 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
SCHEMBL25558883 0.91 TACR3 (0.38) DHODHMAPTALDH1A1HPGDHSD17B10
SCHEMBL25199410 0.81 PDE10A (0.39) PDE10A
SCHEMBL30367800 0.81 PDE10A (0.39) PDE10A
SCHEMBL23887709 0.81 PDE10A (0.39) PDE10A
SCHEMBL23906427 0.76 MAPT (0.42) DHODHMAPTALDH1A1HPGDHSD17B10
SCHEMBL25193488 0.76 MAPT (0.42) DHODHMAPTALDH1A1HPGDHSD17B10
SCHEMBL30450040 0.76 MAPT (0.42) DHODHMAPTALDH1A1HPGDHSD17B10
SCHEMBL25193490 0.76 MAPT (0.42) DHODHMAPTALDH1A1HPGDHSD17B10
SCHEMBL25544347 0.74 GRM2 (0.38) DHODHMAPTALDH1A1CTNNB1TCF7L2
SCHEMBL25558851 0.74 DPP4 (0.40) DHODHTACR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US 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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 DHODH 379/4885MAPT 2172/4885ALDH1A1 542/4885

“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.