SCHEMBL25544246

SCHEMBL25544246

Cc1ccc2c(I)c(Cl)nc(Cl)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 4/20 0.34
CYP2A6 P11509 3/20 0.34
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.33
ELANE P08246 1/20 0.33
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACHE P22303 3/20 0.32
BCHE P06276 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 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
SCHEMBL30121090 0.77 APP (0.44) LMNAKDM4EALDH1A1MAPTKMT2A
SCHEMBL23887798 0.77 APP (0.44) LMNAKDM4EALDH1A1MAPTKMT2A
SCHEMBL30040888 0.73 LMNA (0.44) LMNAKDM4EALDH1A1MAPTKMT2A
SCHEMBL3759501 0.73 LMNA (0.44) LMNAKDM4EALDH1A1MAPTKMT2A
SCHEMBL4893783 0.69 LMNA (0.38) LMNAKDM4EALDH1A1MAPTKMT2A
SCHEMBL18769974 0.68 CYP1A2 (0.42) LMNAKDM4EALDH1A1MAPTKMT2A
SCHEMBL30160405 0.68 CYP1A2 (0.42) LMNAKDM4EALDH1A1MAPTKMT2A
SCHEMBL14727433 0.68 KMT2A (0.44) LMNAKDM4EALDH1A1MAPTKMT2A
SCHEMBL23562822 0.68 LMNA (0.40) LMNAKDM4EALDH1A1MAPTKMT2A
SCHEMBL14867292 0.67 L3MBTL1 (0.42) LMNAKDM4EALDH1A1MAPTKMT2A

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 LMNA 1470/4885KDM4E 4440/4885ALDH1A1 542/4885

“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.