SCHEMBL4380408

SCHEMBL4380408

N#Cc1cccc(C(O)c2ccncc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP3A4 P08684 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CLK4 Q9HAZ1 1/20 0.41
ENPP2 Q13822 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 1/20 0.39
CDC7 O00311 1/20 0.39
GRM4 Q14833 1/20 0.39
GSK3B P49841 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
BLM P54132 1/20 0.37
VNN1 O95497 1/20 0.37
KCNA5 P22460 1/20 0.37
ABCG2 Q9UNQ0 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
SCHEMBL1507787 0.86 TSHR (0.48) ENPP2SMN1; SMN2GRM4GSK3BSLC6A2
SCHEMBL30961611 0.86 TSHR (0.48) ENPP2SMN1; SMN2GRM4GSK3BSLC6A2
SCHEMBL9197340 0.84 SMN1; SMN2 (0.57) CYP19A1CYP11B1CYP11B2CYP17A1SMN1; SMN2
SCHEMBL3075742 0.81 SMN1; SMN2 (0.43) CYP19A1SMN1; SMN2GRM4VNN1KCNA5
SCHEMBL30251242 0.80 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL17338939 0.80 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL6746768 0.80 CYP17A1 (0.42) CYP19A1CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL17064353 0.79 CA1 (0.45) CYP3A4ENPP2GRM4GSK3BTNF
SCHEMBL18286274 0.76 S1PR1 (0.39) CLK4ENPP2GRM4GSK3BVNN1
SCHEMBL4384901 0.76 IDO1 (0.43) CYP19A1LRRK2CLK4GRM5CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126835-B1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2026-02-18 EP disclosed
US-12516038-B2 Inhibitors of antigen presentation by HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2026-01-06 US disclosed
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
EP-4126835-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR Janssen Pharmaceutica NV (BE) 2023-02-08 EP disclosed
WO-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 WO disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 CYP19A1 688/4885CYP11B1 371/4885CYP11B2 302/4885
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR HLA-DRB1, CD74, HLA-C CYP19A1 3518/4885CYP11B1 2151/4885CYP11B2 2489/4885

“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.