SCHEMBL25544722

SCHEMBL25544722

Cc1ccc2c(Br)c(C3CCOCC3)nc([N+]34CCN(CC3)CC4)c2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AR P10275 1/20 0.32
CFTR P13569 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
CREBBP Q92793 1/20 0.31
PRKDC P78527 1/20 0.31
PARP14 Q460N5 1/20 0.30
IRAK4 Q9NWZ3 2/20 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
SCHEMBL25544271 0.82 HPGD (0.32) TSHR
SCHEMBL25544304 0.80 TLR9 (0.38) IRAK4
SCHEMBL25544287 0.80 PDE2A (0.33) LMNAMAPTTSHRCREBBP
SCHEMBL25544269 0.80 SLC9A1 (0.33) ACHELMNAMAPTTSHRCREBBP
SCHEMBL25544660 0.74 CFTR (0.33) ACHEATMTDP1L3MBTL1CFTR
SCHEMBL25544282 0.70 CFTR (0.36) CFTRPARP14IRAK4
SCHEMBL25544721 0.66 PDE10A (0.37) TSHRPARP14IRAK4
SCHEMBL25544712 0.65 TLR9 (0.36) IRAK4
SCHEMBL30762602 0.61 KDM4E (0.42) ACHEATMTDP1L3MBTL1CFTR
SCHEMBL30762491 0.59 CFTR (0.43) CFTR

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 ACHE 1777/4885ATM 2493/4885TDP1 786/4885

“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.