Sugi Predict

Sugi Predict / Compounds / SCHEMBL789758

SCHEMBL789758

SCHEMBL789758

COc1c([N+](=O)[O-])ccc(C=O)c1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PRKDC P78527 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ERN1 O75460 5/20 0.42
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TPMT P51580 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL1534545 0.86 ALDH1A1 (0.53) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL20764577 0.85 ERN1 (0.39) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL790725 0.82 ERN1 (0.54) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL20764723 0.82 NPC1 (0.38) MAPTERN1MEN1KMT2ATDP1
SCHEMBL5652488 0.80 MAPT (0.44) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL12154699 0.79 ERN1 (0.54) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL20455905 0.77 CA1 (0.57) MAPTALDH1A1KDM4EHSD17B10ERN1
SCHEMBL14092107 0.77 ALDH1A1 (0.50) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL7279476 0.77 MAPT (0.42) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL82579 0.76 MEN1 (0.60) MAPTALDH1A1KDM4ECYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260146037-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF SHANGHAI YIDIAN PHARMACEUTICAL TECHNOLOGY DEVELOPMENT CO., LTD (CN) 2026-05-28 — — US disclosed
US-20250101011-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF SHANGHAI YIDIAN PHARMACEUTICAL TECHNOLOGY DEVELOPMENT CO., LTD (CN) 2025-03-27 — — US disclosed
EP-4450497-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF Shanghai Yidian Pharmaceutical Technology Development Co., Ltd (CN) 2024-10-23 — — EP disclosed
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 — — WO disclosed
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 — — WO disclosed
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure ELEX BIOTECH, INC. (US) 2022-08-30 — — US disclosed
US-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 — — US disclosed
US-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 — — US disclosed
EP-3224238-B1 NOVEL CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-08-11 — — EP disclosed
EP-3224238-B1 NOVEL CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-08-11 — — EP disclosed
US-8198302-B2 Anticancer agent having a quinone, quinone prodrug, catechol or catechol prodrug moiety; free of combretastatin A-1 OXIGENE, INC. (US) 2012-06-12 — — US disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 — — WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 — — WO disclosed
WO-2011075607-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 — — WO disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 — — US disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 — — US disclosed
EP-1601348-A4 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE INC (US) 2008-12-10 — — EP disclosed
EP-1601348-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2005-12-07 — — EP disclosed
US-20040242696-A1 Compositions and methods with enhanced therapeutic activity MATEON THERAPEUTICS, INC. 2004-12-02 — — US disclosed
WO-2004078126-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2004-09-16 — — 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 (6 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-20040242696-A1 Compositions and methods with enhanced therapeutic activity NQO1, MKI67, COMT MAPT 4379/4885ALDH1A1 553/4885KDM4E 1518/4885
US-20250101011-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF CTSC, CTSL, CTRL MAPT 2063/4885ALDH1A1 4227/4885KDM4E 4376/4885
US-11225503-B2 Crystobactamides PKD2, SLC7A11, CTH MAPT 1600/4885ALDH1A1 2778/4885KDM4E 3912/4885
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, IRF3 MAPT 4399/4885ALDH1A1 1679/4885KDM4E 450/4885
US-20260146037-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF JAK1, CTSZ, CTSL MAPT 2737/4885ALDH1A1 4484/4885KDM4E 1597/4885
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure RYR2, RYR1, CACNA1F MAPT 341/4885ALDH1A1 2527/4885KDM4E 3952/4885

“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.