SCHEMBL25544756

SCHEMBL25544756

COC(=O)c1ccc(Oc2nc3cc(O)ccc3c(-c3ccc(F)cc3)c2C2CCOCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MET P08581 1/20 0.37
AXL P30530 1/20 0.37
MAP2K4 P45985 1/20 0.36
HPGD P15428 2/20 0.36
PTPN7 P35236 1/20 0.35
ESR1 P03372 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.35
PLA2G2A P14555 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL25544757 0.92 PDE10A (0.39) PDE10AALDH1A1KDM4ESMN1; SMN2MET
SCHEMBL23887743 0.91 PDE10A (0.40) PDE10AMETAXLESR1SCN9A
SCHEMBL25557560 0.88 PTPN7 (0.43) PDE10APTPN7NPSR1MEN1KMT2A
SCHEMBL25544754 0.80 ESR1 (0.35) PDE10AKDM4EESR1PIK3CA
SCHEMBL23896366 0.78 PRKAA2 (0.37) ALDH1A1KDM4EHPGDESR1TSHR
SCHEMBL28974996 0.77 ESR1 (0.35) KDM4EESR1
SCHEMBL23887912 0.77 ESR1 (0.37) PDE10AESR1SCN9A
SCHEMBL23896132 0.75 KDM4E (0.33) ALDH1A1KDM4EHPGDESR1TSHR
SCHEMBL25475055 0.75 PDE10A (0.40) PDE10ASCN9A
SCHEMBL23896130 0.74 ESR1 (0.33) ALDH1A1KDM4EESR1

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 PDE10A 3701/4885ALDH1A1 542/4885KDM4E 4440/4885

“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.