Sugi Predict

Sugi Predict / Compounds / SCHEMBL2698404

SCHEMBL2698404

SCHEMBL2698404

COc1cc(OC)cc(C(=N)NO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ GAA P10253 2/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL2228769 0.85 RXRA (0.45) GAAABCG2KDM4ECA1CA2
SCHEMBL640726 0.80 PRSS1 (0.62) ALDH1A1ABCG2KDM4EPRSS1PRSS2
SCHEMBL194623 0.78 CA1 (0.59) ALDH1A1PRSS1PRSS2PRSS3CA1
SCHEMBL12348318 0.75 HDAC8 (0.30) HDAC6HDAC8
SCHEMBL5462365 0.75 CYP3A4 (0.48) ALDH1A1ABCG2KDM4EHDAC3HDAC1
SCHEMBL6465455 0.74 CA1 (0.64) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL3368246 0.73 PRSS1 (0.64) ALDH1A1PRSS1PRSS2PRSS3PDE4A
SCHEMBL13924923 0.72 PTGS2 (0.55) GAAKDM4ECA1CA2MEN1
Hydrochloric Acid SCHEMBL1436342 0.71 PRSS1 (0.62) ALDH1A1PRSS1PRSS2PRSS3PDE4A
SCHEMBL31555994 0.71 MAPK1 (0.33) ALDH1A1GAAKDM4EPRSS1CA1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors Ichnos Sciences SA (CH) 2020-11-03 — — US disclosed
US-20190282548-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2019-09-19 — — US disclosed
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A (CH) 2019-08-27 — — US disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 — — EP disclosed
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2018-07-19 — — US disclosed
US-9949955-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2018-04-24 — — US disclosed
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2016-11-24 — — US disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 — — US disclosed
US-9439890-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2016-09-13 — — US disclosed
EP-2718284-B1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS SA (CH) 2015-11-18 — — EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 — — US disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 — — CN disclosed
EP-1373264-B1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-22 — — EP disclosed
US-6821972-B2 ANTISCARRING AGENTS; WOUND HEALING AGENTS; ENZYME INHIBITORS PFIZER INC. 2004-11-23 — — US disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 — — EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 — — US disclosed
EP-1373264-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS Pfizer Limited (GB) 2004-01-02 — — EP disclosed
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PFIZER INC. 2003-04-10 — — US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 — — WO disclosed
WO-2002079200-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LIMITED (GB) 2002-10-10 — — 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 (7 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-20190282548-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS PTGES, PTGS1, PTGIS ALDH1A1 170/4885GAA 1319/4885ABCG2 1334/4885
US-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 ALDH1A1 338/4885GAA 2424/4885ABCG2 259/4885
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS ALDH1A1 170/4885GAA 1319/4885ABCG2 1334/4885
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors PTGES, PTGS1, PTGIS ALDH1A1 170/4885GAA 1319/4885ABCG2 1334/4885
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS PTGES, PTGS1, PTGIS ALDH1A1 170/4885GAA 1319/4885ABCG2 1334/4885
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors PTGES, PTGS1, PTGIS ALDH1A1 170/4885GAA 1319/4885ABCG2 1334/4885
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PAH, CYP2F1, CYP7A1 ALDH1A1 376/4885GAA 2209/4885ABCG2 66/4885

“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.