SCHEMBL23896356

SCHEMBL23896356

OC[C@H](O)COc1nc(C2CCOCC2)c(-c2ccc(F)cc2)c2ccc(O)cc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.35
PRKAA2 P54646 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH2 P05091 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NAMPT P43490 1/20 0.33
S1PR1 P21453 1/20 0.33
RAF1 P04049 9/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL23896071 0.92 PRKAA2 (0.34) MAPK14PRKAA2NAMPTESR1
SCHEMBL25545563 0.92 PRKAA2 (0.34) MAPK14PRKAA2NAMPTESR1
SCHEMBL23896303 0.86 PRKAA2 (0.36) PRKAA2NAMPTESR1
SCHEMBL23896369 0.85 RAF1 (0.39) KCNA5KCNH2RAF1
SCHEMBL23896127 0.85 GRM4 (0.41) PRKAA2
SCHEMBL25544052 0.83 GRM4 (0.39) PRKAA2
SCHEMBL25549283 0.83 ESR1 (0.36) PRKAA2ESR1
SCHEMBL25544634 0.81 ALDH2 (0.35) MAPK14ALDH2MAOAMAOBS1PR1
SCHEMBL23895793 0.81 SGK1 (0.34) PRKAA2NAMPTESR1
SCHEMBL25545572 0.81 SGK1 (0.34) PRKAA2NAMPTESR1

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 3 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
WO-2021203028-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 (US) 2021-10-07 WO 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 MAPK14 3750/4885PRKAA2 2465/4885KCNA5 4061/4885

“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.