SCHEMBL19502865

SCHEMBL19502865

COc1ccc(CN2CC3C(N)C3C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
PTGIR P43119 1/20 0.49
DRD4 P21917 1/20 0.48
HRH2 P25021 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
CMA1 P23946 1/20 0.46
CHKA P35790 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL17304807 0.83 SIGMAR1 (0.54) SIGMAR1SMN1; SMN2PTGIRDRD4HRH2
SCHEMBL12488080 0.83 PAX8 (0.56) SIGMAR1SMN1; SMN2PTGIRDRD4HRH2
SCHEMBL12488076 0.83 PAX8 (0.56) SIGMAR1SMN1; SMN2PTGIRDRD4HRH2
SCHEMBL12488083 0.83 PAX8 (0.56) SIGMAR1SMN1; SMN2PTGIRDRD4HRH2
SCHEMBL12489466 0.83 PAX8 (0.56) SIGMAR1SMN1; SMN2PTGIRDRD4HRH2
SCHEMBL15329360 0.82 HRH2 (0.56) SIGMAR1SMN1; SMN2PTGIRDRD4HRH2
SCHEMBL16081738 0.81 S1PR1 (0.51) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19502864 0.80 SIRT2 (0.51) SIGMAR1SMN1; SMN2DRD4KDM4E
SCHEMBL13547217 0.80 SIGMAR1 (0.63) SIGMAR1SMN1; SMN2PTGIRDRD4HRH2
SCHEMBL8068944 0.80 SIGMAR1 (0.62) SIGMAR1SMN1; SMN2DRD4HRH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464273-B9 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-10-21 EP claimed
EP-3464273-B1 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-04-08 EP claimed
US-20180009787-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-11 US claimed
US-9802919-B1 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2017-10-31 US claimed
EP-3464273-B9 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-10-21 EP disclosed
EP-3464273-B1 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-04-08 EP disclosed
US-10023558-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2018-07-17 US disclosed
US-20180009787-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-11 US disclosed
US-9802919-B1 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2017-10-31 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 (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-10023558-B2 Compounds SERPINB1, ELANE, MPO SIGMAR1 3139/4885SMN1; SMN2 725/4885PTGIR 1200/4885
US-20180009787-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO SIGMAR1 2706/4885SMN1; SMN2 879/4885PTGIR 1191/4885

“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.