SCHEMBL25544348

SCHEMBL25544348

Cc1ccc2c(Br)cc(C)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.43
SLC2A1 P11166 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NQO2 P16083 1/20 0.41
NR4A2 P43354 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACHE P22303 4/20 0.39
BCHE P06276 3/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
GRM2 Q14416 1/20 0.37

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
SCHEMBL29523105 0.84 LMNA (0.61) CYP1A2LMNAPOLBL3MBTL1NQO2
SCHEMBL6766825 0.84 LMNA (0.61) CYP1A2LMNAPOLBL3MBTL1NQO2
SCHEMBL874427 0.79 POLB (0.66) CYP1A2LMNAPOLBSLC2A1L3MBTL1
SCHEMBL5256820 0.78 NPSR1 (0.54) CYP1A2LMNAPOLBSLC2A1L3MBTL1
SCHEMBL2512183 0.78 CYP1A2 (0.64) CYP1A2L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL3969703 0.76 CYP1A2 (0.50) CYP1A2LMNAPOLBSLC2A1L3MBTL1
SCHEMBL6593684 0.76 CYP1A2 (0.50) CYP1A2LMNAPOLBSLC2A1L3MBTL1
SCHEMBL15635331 0.76 NQO2 (0.44) CYP1A2LMNAPOLBNQO2NR4A2
SCHEMBL27642254 0.74 GRM2 (0.65) NQO2ALDH1A1GRM2
SCHEMBL460366 0.74 CCR1 (0.44) POLBL3MBTL1NR4A2MAPTKDM4E

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 CYP1A2 677/4885LMNA 1470/4885POLB 543/4885

“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.