SCHEMBL25544757

SCHEMBL25544757

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ATM Q13315 1/20 0.38
MET P08581 1/20 0.37
AXL P30530 1/20 0.37
MAP2K4 P45985 1/20 0.36
GRM2 Q14416 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
TP53 P04637 2/20 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
SCHEMBL25544756 0.92 PDE10A (0.39) PDE10ASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL25557560 0.86 PTPN7 (0.43) PDE10AATMNPSR1MEN1KMT2A
SCHEMBL23887743 0.82 PDE10A (0.40) PDE10AMETAXLGRM2SCN9A
SCHEMBL25544311 0.77 GRM2 (0.41) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL25544557 0.75 ALDH1A1 (0.37) PDE10ASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL25544319 0.75 GRM2 (0.38) HPGDMAPTNPC1RAB9AGRM2
SCHEMBL25475055 0.75 PDE10A (0.40) PDE10ANPC1RAB9ACTNNB1SCN9A
SCHEMBL25544767 0.74 GRM2 (0.36) SMN1; SMN2GRM2CTNNB1TCF7L2MEN1
SCHEMBL25544789 0.74 CTNNB1 (0.40) KDM4EMAPTHSD17B10GRM2CTNNB1
SCHEMBL25544754 0.72 ESR1 (0.35) PDE10AKDM4EMAPTATMGRM2

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 PDE10A 3701/4885SMN1; SMN2 3018/4885ALDH1A1 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.