SCHEMBL25544271

SCHEMBL25544271

Cc1ccc2c(-c3ccc(F)cc3)c(C3CCOCC3)nc([N+]34CCN(CC3)CC4)c2c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.32
PRKAA2 P54646 1/20 0.32
PDE2A O00408 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK14 Q16539 1/20 0.31
DRD2 P14416 2/20 0.31
SLC6A4 P31645 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL25544287 0.91 PDE2A (0.33) PDE2ATSHR
SCHEMBL25544269 0.90 SLC9A1 (0.33) PDE2ATSHR
SCHEMBL25544304 0.85 TLR9 (0.38) PDE2A
SCHEMBL25544722 0.82 ACHE (0.34) TSHR
SCHEMBL23887887 0.81 PARP14 (0.37) HPGDPRKAA2ALDH1A1HSD17B10KDM4E
SCHEMBL25544649 0.79 PRKAA2 (0.34) HPGDPRKAA2PDE2AALDH1A1GAA
SCHEMBL25544230 0.78 GCGR (0.38) KDM4E
SCHEMBL23884517 0.76 RXRA (0.39) MAPK14
SCHEMBL25544659 0.76 PRKAA2 (0.40) PRKAA2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL23887776 0.74 FFAR1 (0.37) HPGDHSD17B10KDM4E

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 HPGD 117/4885PRKAA2 2465/4885PDE2A 1868/4885

“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.