SCHEMBL21026293

SCHEMBL21026293

CCc1cc(Cl)c[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 8/20 0.52
DYRK1A Q13627 1/20 0.47
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
EPHX2 P34913 1/20 0.37
S100A9 P06702 2/20 0.36
MASP2 O00187 1/20 0.33

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
SCHEMBL23479301 0.80 DAO (0.46) DAODYRK1AGRIN2DGRIN3BGRIN1
SCHEMBL7474417 0.78 DAO (0.52) DAODYRK1AGRIN2DGRIN3BGRIN1
SCHEMBL22185887 0.77 MCL1 (0.55) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15782179 0.76 DAO (0.54) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2056421 0.76 GRIN2D (0.41) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10242711 0.74 GRIN2D (0.40) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17546137 0.74 ERCC1 (0.52) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4705062 0.74 DYRK1A (0.51) DAODYRK1A
SCHEMBL8264421 0.73
SCHEMBL4649101 0.72 GRIN2D (0.35) DAODYRK1AGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024138042-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. (US) 2024-06-27 WO disclosed
US-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 US disclosed
US-20210171512-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
EP-3272754-B1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2019-05-29 EP 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 (2 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-20210171512-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 DAO 3003/4885DYRK1A 3476/4885GRIN2D 2619/4885
US-11661418-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 DAO 3003/4885DYRK1A 3476/4885GRIN2D 2619/4885

“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.