SCHEMBL2348263

SCHEMBL2348263

CCCOC(=O)c1cc2c(cn1)[nH]c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 11/20 1.00
GABRG2 P18507 11/20 1.00
GABRB3 P28472 11/20 1.00
GABRA5 P31644 11/20 1.00
GABRA3 P34903 11/20 1.00
GABRA2 P47869 11/20 1.00
GABRA6 Q16445 8/20 1.00
GABRA4 P48169 7/20 1.00
GABRP O00591 6/20 1.00
GABRD O14764 6/20 1.00
GABRB1 P18505 6/20 1.00
GABRB2 P47870 6/20 1.00
GABRE P78334 6/20 1.00
GABRG1 Q8N1C3 6/20 1.00
GABRG3 Q99928 6/20 1.00
GABRQ Q9UN88 6/20 1.00
ALDH1A1 P00352 4/20 1.00
MAPT P10636 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
KDM4E B2RXH2 3/20 0.86

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
SCHEMBL29766941 0.93 ALDH1A1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2214572 0.93 ALDH1A1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7384200 0.92 ALDH1A1 (0.93) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL601711 0.90 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29672619 0.90 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30274389 0.90 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8146977 0.88 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7380516 0.87 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA5GABRA3
Beta-Ccm SCHEMBL15648382 0.85 GABRA1 (0.91) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31163651 0.85 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260846-A1 Novel methods for the treatment of cancer Lankenau Institute for Medical Research (US) 2010-12-15 EP claimed
EP-1606285-A4 NOVEL IDO INHIBITORS AND METHODS OF USE LANKENAU INST MEDICAL RES (US) 2009-03-18 EP claimed
EP-1613308-A4 NOVEL METHODS FOR THE TREATMENT OF CANCER LANKENAU INST MEDICAL RES (US) 2008-02-20 EP claimed
US-20070173524-A1 \"Novel ido inhibitors and methods of use LANKENAU INSTITUTE FOR MEDICAL RESEARCH 2007-07-26 US claimed
US-20070099844-A1 Novel methods for the treatment of cancer LANKENAU INSTITUTE FOR MEDICAL RESEARCH 2007-05-03 US claimed
EP-1613308-A1 NOVEL METHODS FOR THE TREATMENT OF CANCER Lankenau Institute for Medical Research (US) 2006-01-11 EP claimed
EP-1606285-A1 NOVEL IDO INHIBITORS AND METHODS OF USE Lankenau Institute for Medical Research (US) 2005-12-21 EP claimed
WO-2004094409-A1 NOVEL IDO INHIBITORS AND METHODS OF USE LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2004-11-04 WO claimed
WO-2004093871-A1 NOVEL METHODS FOR THE TREATMENT OF CANCER LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2004-11-04 WO claimed
EP-2260846-B1 Novel methods for the treatment of cancer LANKENAU INST MEDICAL RES (US) 2018-11-28 EP disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-8476454-B2 IDO inhibitors and methods of use LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2013-07-02 US disclosed
US-8383613-B2 Methods for the treatment of cancer LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2013-02-26 US disclosed
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION Sunovion Inc. (US) 2012-05-17 US disclosed
US-5843396-A Method for stabilizing radiolabeled organic compounds by adding a separate stabilizing compound NEN LIFE SCIENCE PRODUCTS, INC. (US) 1998-12-01 US disclosed
EP-0835233-A1 COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-15 EP disclosed
US-5738836-A Composition for stabilizing radiolabeled organic compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-14 US disclosed
WO-1997001520-A1 COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-16 WO disclosed
EP-0148660-A1 Beta-carboline derivatives, process for their preparation and medicaments containing them Etablissement Public dit: CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1985-07-17 EP disclosed
US-4411881-A Composition and method for stabilizing radiolabeled compounds using thiocarbonylated diethylenetriamines NEW ENGLAND NUCLEAR CORPORATION (US) 1983-10-25 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 (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-20070173524-A1 \"Novel ido inhibitors and methods of use IDO1, IDO2, INMT GABRA1 3846/4885GABRG2 3501/4885GABRB3 2794/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C GABRA1 46/4885GABRG2 97/4885GABRB3 85/4885

“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.