SCHEMBL23896358

SCHEMBL23896358

O=C(NCC(O)CO)c1nc(C2CCOCC2)c(-c2ccc(F)cc2)c2ccc(O)cc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.36
ADORA1 P30542 1/20 0.36
MAPK1 P28482 3/20 0.35
NAMPT P43490 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
ESR1 P03372 1/20 0.34
MAP2K1 Q02750 2/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL23896092 0.84 EGLN1 (0.48) NAMPTEGLN2EGLN1
SCHEMBL23896091 0.84 EGLN2 (0.50) EGLN2EGLN1
SCHEMBL23887713 0.83 EGLN1 (0.42) NAMPTEGLN2EGLN1ESR1RAB9A
SCHEMBL25544067 0.82 NAMPT (0.37) MAPK1NAMPTEGLN2EGLN1ESR1
SCHEMBL30121053 0.82 EGLN2 (0.40) NAMPTEGLN2EGLN1ESR1
SCHEMBL25194482 0.82 EGLN2 (0.40) NAMPTEGLN2EGLN1ESR1
SCHEMBL30367797 0.82 ESR1 (0.40) NAMPTESR1
SCHEMBL23887827 0.82 ESR1 (0.40) NAMPTESR1
SCHEMBL23896066 0.81 EGLN1 (0.39) MAPK1NAMPTEGLN2EGLN1ESR1
SCHEMBL23887791 0.79 ERAP1 (0.35) NAMPTEGLN1ESR1

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 ULK1 1793/4885ADORA1 1236/4885MAPK1 1773/4885

“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.