SCHEMBL25544865

SCHEMBL25544865

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.35
MDM2 Q00987 1/20 0.33
KCNQ3 O43525 5/20 0.33
KCNQ2 O43526 5/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
GRIN2B Q13224 2/20 0.32
TRPV3 Q8NET8 1/20 0.32
APP P05067 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
FFAR1 O14842 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
HPGDS O60760 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
TACR3 P29371 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL25544857 0.89 TOP1 (0.36) TOP1MDM2KCNQ3KCNQ2ESR1
SCHEMBL25550015 0.89 TRPV3 (0.36) TOP1KCNQ3KCNQ2TRPV3
SCHEMBL23887804 0.89 TOP1 (0.37) TOP1ESR1ESR2TACR3
SCHEMBL30121102 0.89 TOP1 (0.37) TOP1ESR1ESR2TACR3
SCHEMBL23887836 0.87 TOP1 (0.39) TOP1KCNQ3KCNQ2GRIN2BFFAR1
SCHEMBL23895822 0.86 PDE10A (0.37) TOP1KCNQ3KCNQ2APPCYP3A4
SCHEMBL28974972 0.86 PDE10A (0.37) TOP1KCNQ3KCNQ2APPCYP3A4
SCHEMBL25544154 0.86 PDE10A (0.37) TOP1KCNQ3KCNQ2APPCYP3A4
SCHEMBL23896391 0.85 TOP1 (0.39) TOP1KCNQ3KCNQ2TRPV3BRD4
SCHEMBL23895820 0.84 TRPV3 (0.35) TOP1MDM2KCNQ3KCNQ2ESR1

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 277/4885MDM2 4344/4885KCNQ3 1489/4885

“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.