SCHEMBL16972829

SCHEMBL16972829

CN1C(=O)COc2cc(N)c(Cl)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.42
CYP11B1 P15538 1/20 0.42
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
IDH1 O75874 1/20 0.37
F10 P00742 1/20 0.36
PTGER3 P43115 1/20 0.35
KMO O15229 1/20 0.35
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2C P28335 1/20 0.34
GRM4 Q14833 1/20 0.34
TSHR P16473 1/20 0.34
GABRA5 P31644 2/20 0.34
GABRA1 P14867 1/20 0.34
ALOX5 P09917 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GAA P10253 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
SCHEMBL27432666 0.81 CYP11B2 (0.42) CYP11B2CYP11B1PDE3BPDE3AIDH1
SCHEMBL30954127 0.81 CYP11B2 (0.42) CYP11B2CYP11B1PDE3BPDE3AIDH1
SCHEMBL27432572 0.81 CYP11B2 (0.42) CYP11B2CYP11B1PDE3BPDE3AIDH1
SCHEMBL3347754 0.79 PDE3B (0.44) CYP11B2CYP11B1PDE3BPDE3APTGER3
SCHEMBL30954096 0.79 CYP11B2 (0.40) CYP11B2CYP11B1PDE3BPDE3AIDH1
SCHEMBL27433176 0.79 CYP11B2 (0.40) CYP11B2CYP11B1PDE3BPDE3AIDH1
SCHEMBL27432475 0.79 HTR1A (0.45) CYP11B2CYP11B1PDE3BPDE3AIDH1
SCHEMBL1744601 0.78 PDE3B (0.43) CYP11B2CYP11B1PDE3BPDE3AIDH1
SCHEMBL8600208 0.78 CYP11B2 (0.42) CYP11B2CYP11B1PDE3BPDE3APTGER3
SCHEMBL1744896 0.77 CYP11B2 (0.41) CYP11B2CYP11B1PDE3BPDE3AIDH1

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
US-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2018-10-11 US disclosed
US-10016439-B2 Fused imidazole compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2018-07-10 US disclosed
EP-3099672-A1 FUSED IMIDAZOLE COMPOUNDS ONO Pharmaceutical Co., Ltd. (JP) 2016-12-07 EP disclosed
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2016-11-17 US disclosed
WO-2015115673-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 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 (3 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-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP CYP11B2 209/4885CYP11B1 150/4885PDE3B 122/4885
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP CYP11B2 209/4885CYP11B1 150/4885PDE3B 122/4885
US-10016439-B2 Fused imidazole compounds GABRA5, CHRNA5, GABRP CYP11B2 209/4885CYP11B1 150/4885PDE3B 122/4885

“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.