Sugi Predict

Sugi Predict / Compounds / SCHEMBL4433836

SCHEMBL4433836

SCHEMBL4433836

CC(=O)OCCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.56
▸ BCL9 O00512 1/20 0.54
▸ CTNNB1 P35222 1/20 0.54
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 3/20 0.52
▸ MGLL Q99685 2/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAOB P27338 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 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
SCHEMBL2406336 0.93 BCL9 (0.50) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL409598 0.92 HTR2A (0.59) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL23928777 0.90 HTR2A (0.51) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL409084 0.88 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL3468592 0.88 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL125510 0.88 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL10062010 0.88 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL30967403 0.87 HTR2A (0.55) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL2597400 0.86 BCL9 (0.63) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL13445479 0.86 HTR2A (0.52) HTR2ABCL9CTNNB1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4655282-A1 3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-4-YL DERIVATIVES COMPASS Pathfinder Limited (GB) 2025-12-03 — — EP disclosed
US-20240269113-A1 3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-4-yl DERIVATIVES COMPASS PATHFINDER LIMITED (GB) 2024-08-15 — — US disclosed
WO-2024156732-A1 3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-4-YL DERIVATIVES COMPASS PATHFINDER LIMITED (GB) 2024-08-02 — — WO disclosed
EP-3860999-A1 DERIVATIVES OF RELEBACTAM AND USES THEREOF Arixa Pharmaceuticals, Inc. (US) 2021-08-11 — — EP disclosed
WO-2020072442-A1 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2020-04-09 — — WO disclosed
EP-3532057-A1 PRODRUGS OF KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2019-09-04 — — EP disclosed
WO-2018081513-A1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2018-05-03 — — WO disclosed
EP-3113772-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2017-01-11 — — EP disclosed
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 — — WO disclosed
US-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR ABBVIE INC. 2012-11-01 — — US disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 — — WO disclosed
EP-1450794-A1 NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) INHIBITORS AS ANTI-DIABETIC AGENTS FERRING B.V. (NL) 2004-09-01 — — EP disclosed
WO-2004002985-A1 PEPTIDIC THROMBIN INHIBITOR COMPOUND LG LIFE SCIENCES LTD. (KR) 2004-01-08 — — WO disclosed
WO-2003035067-A1 NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) INHIBITORS AS ANTI-DIABETIC AGENTS FERRING B.V. (NL) 2003-05-01 — — WO disclosed
US-6022969-A Compositions and methods for treating mast-cell mediated conditions AXYS PHARMACEUTICALS, INC. (US) 2000-02-08 — — US disclosed
EP-0782571-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1997-07-09 — — EP disclosed
WO-1996009297-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1996-03-28 — — WO disclosed
EP-0167451-B1 A NEW PROCESS FOR PREPARING NOVEL N-(ACYLOXY-ALKOXY) CARBONYL DERIVATIVES USEFUL AS BIOREVERSIBLE PRODRUG MOIETIES FOR PRIMARY AND SECONDARY AMINE FUNCTIONS IN DRUGS MERCK & CO. INC. (US) 1990-10-03 — — EP disclosed
US-4916230-A Process for preparing novel N-(acyloxy-alkoxy)carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO., INC. (US) 1990-04-10 — — US disclosed
EP-0167451-A2 A new process for preparing novel N-(acyloxy-alkoxy) carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO. INC. (US) 1986-01-08 — — EP 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-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR TRPV1, TRPV3, TRPA1 HTR2A 383/4885BCL9 4617/4885CTNNB1 2157/4885
US-20240269113-A1 3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-4-yl DERIVATIVES HTR2C, HTR2A, HTR1A HTR2A 2/4885BCL9 2704/4885CTNNB1 1203/4885

“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.