SCHEMBL25544781

SCHEMBL25544781

COC(=O)C12CC(Nc3nc4cc(O)ccc4c(-c4ccc(F)cc4)c3C3CCOCC3)(C1)C2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ESR1 P03372 3/20 0.33
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABL1 P00519 1/20 0.30
PDE5A O76074 1/20 0.30

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
SCHEMBL25544767 0.92 GRM2 (0.36) HDAC1HDAC2SMN1; SMN2ABL1PDE5A
SCHEMBL23887789 0.91 HDAC1 (0.35) HDAC1HDAC2ESR1KDM4EMAPT
SCHEMBL25189338 0.87 PARP14 (0.39)
SCHEMBL23895810 0.79 PDE10A (0.36) HDAC1HDAC2ESR1MAPK1KDM4E
SCHEMBL23896107 0.79 PDE10A (0.36) HDAC1HDAC2ESR1MAPK1KDM4E
SCHEMBL23896399 0.79 ESR1 (0.33) HDAC1HDAC2ESR1MAPK1KDM4E
SCHEMBL23896274 0.77 HDAC1 (0.33) HDAC1HDAC2ESR1ABL1
SCHEMBL23896110 0.77 EGLN2 (0.36) HDAC1HDAC2ESR1KDM4EMAPT
SCHEMBL23896112 0.77 ESR1 (0.34) HDAC1HDAC2ESR1KDM4EMAPT
SCHEMBL23896102 0.77 NR1I2 (0.36) HDAC1HDAC2ESR1MAPK1KDM4E

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-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
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 HDAC1 763/4885HDAC2 1983/4885ESR1 4556/4885

“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.