SCHEMBL25544857

SCHEMBL25544857

Cc1cc(-c2c(C(C)C)c(NCC(=O)O)nc3cc(O)ccc23)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.36
KCNQ3 O43525 4/20 0.34
KCNQ2 O43526 4/20 0.34
GRIN2B Q13224 2/20 0.34
FFAR1 O14842 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
MDM2 Q00987 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
CTSA P10619 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
KLK7 P49862 1/20 0.32
HPGDS O60760 1/20 0.32
PRMT5 O14744 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
SCHEMBL23887836 0.91 TOP1 (0.39) TOP1KCNQ3KCNQ2GRIN2BFFAR1
SCHEMBL23896419 0.90 CTSA (0.35) TOP1KCNQ3KCNQ2GRIN2BFFAR1
SCHEMBL23896415 0.90 CTSA (0.35) TOP1KCNQ3KCNQ2GRIN2BFFAR1
SCHEMBL25544865 0.89 TOP1 (0.35) TOP1KCNQ3KCNQ2GRIN2BFFAR1
SCHEMBL23896211 0.88 TOP1 (0.38) TOP1ESR1ESR2
SCHEMBL23896391 0.86 TOP1 (0.39) TOP1KCNQ3KCNQ2TRPV3KDM4E
SCHEMBL23896414 0.86 TOP1 (0.33) TOP1KCNQ3KCNQ2GRIN2BMDM2
SCHEMBL23895822 0.85 PDE10A (0.37) TOP1KCNQ3KCNQ2
SCHEMBL28974972 0.85 PDE10A (0.37) TOP1KCNQ3KCNQ2
SCHEMBL25544154 0.85 PDE10A (0.37) TOP1KCNQ3KCNQ2

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 TOP1 277/4885KCNQ3 1489/4885KCNQ2 859/4885

“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.