SCHEMBL4467529

SCHEMBL4467529

COc1ccc2c(c1)c(Cl)cc[n+]2[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.41
BCHE P06276 3/20 0.41
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
BCL2 P10415 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL2796426 0.81 NPC1 (0.54) ACHEBCHEALDH1A1KDM4EMAPT
SCHEMBL29577058 0.78 KDR (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL21185584 0.78 KDR (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL11818882 0.74 ACHE (0.46) ACHEBCHEALDH1A1KDM4EMAPT
SCHEMBL1536299 0.71 CYP1A2 (0.41) ACHEALDH1A1KDM4EMAPTMEN1
SCHEMBL3786646 0.71 BCL2 (0.40) ACHEBCHEALDH1A1KDM4EMAPT
SCHEMBL29613359 0.70 ACHE (0.50) ACHEALDH1A1KDM4EMEN1KMT2A
SCHEMBL1289697 0.69 ACHE (0.67) ACHEBCHEALDH1A1KDM4EMAPT
SCHEMBL2795974 0.69 CYP2A6 (0.44) MAPTKMT2ATSHRRAB9AHTT
SCHEMBL9202364 0.68 DAO (0.32) ALDH1A1HSD17B10TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021105497-A1 SMALL-MOLECULE NADPH OXIDASE 2 INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2021-06-03 WO disclosed
US-7550598-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
EP-1778669-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-05-02 EP disclosed
WO-2006023931-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-03-02 WO disclosed
US-20060041137-A1 Kinase inhibitors TAKEDA SAN DIEGO, INC. 2006-02-23 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-20060041137-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K1 ACHE 3969/4885BCHE 3763/4885ALDH1A1 4393/4885

“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.