Sugi Predict

Sugi Predict / Compounds / SCHEMBL4516202

SCHEMBL4516202

SCHEMBL4516202

CCOC(=O)C(=O)Cc1cccc(OC)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.48
▸ MAPT P10636 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PLIN1 O60240 1/20 0.44
▸ PLIN5 Q00G26 1/20 0.44
▸ ABHD5 Q8WTS1 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ TDP1 Q9NUW8 5/20 0.42
▸ GAA P10253 3/20 0.42
▸ CTDSP1 Q9GZU7 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ GLO1 Q04760 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
SCHEMBL31016520 0.87 FBP1 (0.39) HPGDMAPTMEN1LMNAKMT2A
SCHEMBL10506139 0.84 HPD (0.47) MAPTPOLBLMNAALDH1A1TDP1
SCHEMBL7634089 0.83 KMT2A (0.54) MAPTPOLBMEN1LMNAKMT2A
SCHEMBL13905046 0.81 HPGD (0.50) HPGDMAPTPOLBMEN1LMNA
SCHEMBL31016522 0.81 ALDH1A1 (0.45) MAPTPOLBMEN1LMNAKMT2A
SCHEMBL8151785 0.80 HPGD (0.52) HPGDMAPTPOLBMEN1LMNA
SCHEMBL29274957 0.80 HPGD (0.47) HPGDMAPTPOLBALDH1A1TDP1
Ethylene SCHEMBL7406931 0.80 HPGD (0.46) HPGDMAPTPOLBMEN1LMNA
SCHEMBL8217655 0.79 ALDH1A1 (0.52) HPGDMAPTPOLBMEN1KMT2A
SCHEMBL18304687 0.79 HPGD (0.49) HPGDMAPTPOLBMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826357-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-11-28 — — US disclosed
US-11826357-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-11-28 — — US disclosed
US-11826357-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-11-28 — — US disclosed
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-25 — — US disclosed
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-25 — — US disclosed
CN-111163774-A Bacterial efflux pump inhibitors 罗格斯新泽西州立大学 2020-05-15 — — CN disclosed
EP-3630109-A1 BACTERIAL EFFLUX PUMP INHIBITORS Rutgers, the State University of New Jersey (US) 2020-04-08 — — EP disclosed
WO-2018218192-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-11-29 — — WO disclosed
EP-1373204-B1 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-10-26 — — EP disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 — — US disclosed
EP-1836192-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Universita' Degli Studi di Siena (IT) 2007-09-26 — — EP disclosed
WO-2006072608-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS UNIVERSITÁ DEGLI STUDI DI SIENA (IT) 2006-07-13 — — WO disclosed
EP-1551406-A1 USE OF INDOLYL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALLERGIC RHINITIS JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-13 — — EP disclosed
US-20050085487-A1 Heterocyclic compounds CARRUTHERS NICHOLAS I (US) 2005-04-21 — — US disclosed
US-6803362-B2 ANTIHISTAMINES SUCH AS (5-CHLORO-1H-INDOL-2-YL)-(4-METHYL-PIPERAZIN-1-YL)-METHANONE, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC OR BRONCHODILATOR AGENTS AND/OR IMMUNOLOGY MODULATORS ORTHO-MCNEIL PHARMACEUTICAL INC. 2004-10-12 — — US disclosed
US-20040132715-A1 Method to treat allergic rhinitis DUNFORD PAUL J (US) 2004-07-08 — — US disclosed
WO-2004022061-A1 USE OF INDOLYL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT ALLERGIC RHINITIS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 — — WO disclosed
EP-1373204-A2 HETEROCYCLIC COMPOUNDS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-01-02 — — EP disclosed
US-20030207893-A1 Heterocyclic compounds ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-11-06 — — US disclosed
WO-2002072548-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS HISTAMINE H4 LIGANDS. ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-09-19 — — 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-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 HPGD 243/4885MAPT 4225/4885POLB 1025/4885
US-20040132715-A1 Method to treat allergic rhinitis HRH2, HRH4, HRH1 HPGD 237/4885MAPT 2647/4885POLB 3528/4885
US-20050085487-A1 Heterocyclic compounds AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1 HPGD 128/4885MAPT 3679/4885POLB 1187/4885
US-11826357-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 HPGD 243/4885MAPT 4225/4885POLB 1025/4885
US-20030207893-A1 Heterocyclic compounds AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1 HPGD 129/4885MAPT 3677/4885POLB 1188/4885
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 HPGD 2010/4885MAPT 2081/4885POLB 4620/4885

“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.