Sugi Predict

Sugi Predict / Compounds / SCHEMBL1029307

SCHEMBL1029307

SCHEMBL1029307

O=C(OCc1ccc([N+](=O)[O-])cc1)OOC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.59
▸ IDO1 P14902 2/20 0.58
▸ RAB9A P51151 2/20 0.56
▸ AKR1C3 P42330 1/20 0.56
▸ HTT P42858 2/20 0.52
▸ MAOB P27338 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ TSHR P16473 1/20 0.50
▸ MAPT P10636 1/20 0.49

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
SCHEMBL37664 0.93 HTR2A (0.62) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL4725847 0.89 HTR2A (0.59) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL7289559 0.86 HTR2A (0.57) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL6645015 0.86 RAB9A (0.61) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL11161827 0.86 HTR2A (0.57) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL7289565 0.86 IDO1 (0.64) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL6141208 0.86 HTR2A (0.64) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL9676749 0.86 HTR2A (0.57) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL6141153 0.85 HTR2A (0.59) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL5827968 0.85 HTR2A (0.80) HTR2AIDO1RAB9AAKR1C3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273991-A1 3-HYDROXY GEPIRONE FOR THE TREATMENT OF ATTENTION DEFICIT DISORDER AND SEXUAL DYSFUNCTION Fabre-Kramer Pharmaceuticals, Inc. (US) 2011-01-19 — — EP disclosed
US-20090281111-A1 3-HYDROXY GEPIRONE FOR THE TREATMENT OF ATTENTION DEFICIT DISORDER AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 — — US disclosed
WO-2009137679-A1 3-HYDROXY GEPIRONE FOR THE TREATMENT OF ATTENTION DEFICIT DISORDER AND SEXUAL DYSFUNCTION FABRE KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 — — WO disclosed
EP-1417203-A4 S-6-HYDROXY-BUSPIRONE BRISTOL MYERS SQUIBB CO (US) 2005-08-10 — — EP disclosed
EP-1248622-B1 Pharmaceutical composition comprising a metabolite of buspirone BRISTOL MYERS SQUIBB CO (US) 2005-07-27 — — EP disclosed
US-20050137206-A1 Method for treatment of anxiety and depression BRISTOL-MYERS SQUIBB COMPANY 2005-06-23 — — US disclosed
EP-1542689-A2 IMPROVED PROCESS FOR HYDROXYAZAPIRONES Bristol-Myers Squibb Company (US) 2005-06-22 — — EP disclosed
US-6897309-B2 Process for hydroxyazapirones BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-24 — — US disclosed
EP-1242061-B1 USE OF BIOACTIVE METABOLITES OF GEPIRONE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF PSYCHOLOGICAL DISORDERS FABRE KRAMER PHARMACEUTICALS I (US) 2005-05-04 — — EP disclosed
EP-1408979-A4 R-6-HYDROXY-BUSPIRONE BRISTOL MYERS SQUIBB CO (US) 2005-03-23 — — EP disclosed
WO-2003009851-A1 R-6-HYDROXY-BUSPIRONE BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-06 — — WO disclosed
US-20030022899-A1 S-6-hydroxy-buspirone YEVICH JOSEPH P (US) 2003-01-30 — — US disclosed
US-20020193380-A1 Method for treatment of pain CAMBORDE FRANCOISE (FR) 2002-12-19 — — US disclosed
EP-1248622-A1 ANXIETY METHOD Bristol-Myers Squibb Company (US) 2002-10-16 — — EP disclosed
EP-1242061-A2 USE OF BIOACTIVE METABOLITES OF GEPIRONE FOR THE TREATMENT OF PSYCHOLOGICAL DISORDERS Fabre-Kramer Pharmaceuticals, Inc. (US) 2002-09-25 — — EP disclosed
WO-2002016347-A1 ACTIVE METABOLITE OF GEPIRONE AKZO NOBEL N.V. (NL) 2002-02-28 — — WO disclosed
WO-2001052853-A1 ANXIETY METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-07-26 — — WO disclosed
US-20010009913-A1 Anxiety method MAYOL ROBERT F (US) 2001-07-26 — — US disclosed
WO-2001045687-A2 USE OF BIOACTIVE METABOLITES OF GEPIRONE FOR THE TREATMENT OF PSYCHOLOGICAL DISORDERS FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2001-06-28 — — WO disclosed
US-6150365-A ADMINISTERING TO A MAMMAL SUFFERING FROM ANXIETY AN EFFECTIVE DOSAGE OF 6-HYDROXY-8-(4-(4-(2-PYRIMIDINYL)-PIPERAZINYL)-BUTYL)-8-AZASPI RO(4.5)-7,9-DIONE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-21 — — 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 (5 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-20020193380-A1 Method for treatment of pain OPRK1, OPRL1, OPRD1 HTR2A 65/4885IDO1 4392/4885RAB9A 3064/4885
US-20030022899-A1 S-6-hydroxy-buspirone HTR6, HTR3A, HTR2C HTR2A 8/4885IDO1 2533/4885RAB9A 2979/4885
US-20050137206-A1 Method for treatment of anxiety and depression HTR7, HTR5A, HTR3A HTR2A 12/4885IDO1 1830/4885RAB9A 1899/4885
US-20090281111-A1 3-HYDROXY GEPIRONE FOR THE TREATMENT OF ATTENTION DEFICIT DISORDER AND SEXUAL DYSFUNCTION HTR1D, HTR3A, HTR3E HTR2A 16/4885IDO1 857/4885RAB9A 885/4885
US-20010009913-A1 Anxiety method HTR5A, HTR3A, HTR2C HTR2A 6/4885IDO1 699/4885RAB9A 2613/4885

“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.