Sugi Predict

Sugi Predict / Compounds / SCHEMBL17290403

SCHEMBL17290403

SCHEMBL17290403

CC1=NN(C)C(=O)C1(NO)/C(C)=N/OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PPARG P37231 2/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BRD9 Q9H8M2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ GHSR Q92847 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL17290407 1.00 S1PR1 (0.35) S1PR1LMNAALDH1A1HPGDPPARG
SCHEMBL17290872 0.86 GHSR (0.35) S1PR1LMNAALDH1A1HPGDPPARG
SCHEMBL17290875 0.86 GHSR (0.35) S1PR1LMNAALDH1A1HPGDPPARG
SCHEMBL17290243 0.85 PPARG (0.35) S1PR1LMNAALDH1A1HPGDPPARG
SCHEMBL17290245 0.85 PPARG (0.35) S1PR1LMNAALDH1A1HPGDPPARG
SCHEMBL17290849 0.82 BACE1 (0.33) ALDH1A1GAA
SCHEMBL17290848 0.82 BACE1 (0.33) ALDH1A1GAA
SCHEMBL17290949 0.81 LMNA (0.36) S1PR1LMNAALDH1A1PPARGPPARA
SCHEMBL17290950 0.81 LMNA (0.36) S1PR1LMNAALDH1A1PPARGPPARA
SCHEMBL17290852 0.79 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 — — US claimed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 — — EP disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 — — WO disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 — — WO disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 — — US disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 — — US disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 — — 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-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 S1PR1 2567/4885LMNA 2480/4885ALDH1A1 1883/4885

“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.