SCHEMBL25548845

SCHEMBL25548845

COc1cc(C(=O)O)ccc1Oc1nc(C(C)C)c(-c2ccc(F)c(C)c2)c2ccc(O)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
TTR P02766 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
TPMT P51580 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CTSA P10619 2/20 0.34
TSHR P16473 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
FABP4 P15090 1/20 0.34
JAK2 O60674 1/20 0.34
MPL P40238 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
SCHEMBL25544003 0.92 MPL (0.35) HTTLMNAMAPK1RAB9AMRGPRX4
SCHEMBL23896062 0.85 PPARG (0.42)
SCHEMBL25544022 0.81 PDE4D (0.34) HTTLMNAMAPK1RAB9ATTR
SCHEMBL23887889 0.81 CASR (0.37) LMNAMAPK1MPL
SCHEMBL23896305 0.80 THRA (0.39) RAB9A
SCHEMBL23896306 0.79 FFAR1 (0.35)
SCHEMBL23887753 0.79 FFAR1 (0.36)
SCHEMBL23887876 0.78 ESR1 (0.35) FABP4MPL
SCHEMBL23896098 0.76 ESR1 (0.32) MPL
SCHEMBL23896312 0.76 CA12 (0.40) CA12CA2CA9MPL

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 HTT 49/4885LMNA 1470/4885MAPK1 1773/4885

“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.