SCHEMBL3112919

SCHEMBL3112919

CCOC(=O)c1cc(C)c([N+](=O)[O-])cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
GABRA1 P14867 7/20 0.46
GABRG2 P18507 7/20 0.46
GABRB3 P28472 7/20 0.46
GABRA5 P31644 7/20 0.46
GABRA3 P34903 7/20 0.46
GABRA2 P47869 7/20 0.46
GABRA4 P48169 7/20 0.46
GABRA6 Q16445 7/20 0.46
GABRP O00591 6/20 0.46
GABRD O14764 6/20 0.46
GABRB1 P18505 6/20 0.46
GABRB2 P47870 6/20 0.46
GABRE P78334 6/20 0.46
GABRG1 Q8N1C3 6/20 0.46
GABRG3 Q99928 6/20 0.46
GABRQ Q9UN88 6/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL40587 0.86 MAPT (0.47) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL31419042 0.85 PDGFRB (0.45) ALDH1A1POLBMAPTKDM4EKMT2A
SCHEMBL4806468 0.85 PDGFRB (0.45) ALDH1A1POLBMAPTKDM4EKMT2A
SCHEMBL19231419 0.83 GABRA1 (0.47) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL26899199 0.81 GABRA1 (0.55) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL13778765 0.80 MAPT (0.46) ALDH1A1POLBSMN1; SMN2MAPTAGTR1
SCHEMBL5252545 0.80 TSHR (0.51) ALDH1A1POLBMAPTKDM4E
SCHEMBL5252542 0.80 TSHR (0.51) ALDH1A1POLBMAPTKDM4E
SCHEMBL4799762 0.79 ALDH1A1 (0.41) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL15715983 0.78 GABRA1 (0.49) ALDH1A1GABRA1GABRG2GABRB3GABRA5

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426246-B1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2024-05-01 EP disclosed
CN-108883099-B Thiazolidinone compounds and use thereof 石全 2021-09-28 CN disclosed
US-10544113-B2 Thiazolidinone compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTE (TW) 2020-01-28 US disclosed
EP-3426246-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF National Health Research Institutes (TW) 2019-01-16 EP disclosed
WO-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 WO disclosed
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 US disclosed
EP-2143724-B1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
CN-101663302-B Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL 2013-07-24 CN disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
CN-101663302-A Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL 2010-03-03 CN disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 EP disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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 (4 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-10544113-B2 Thiazolidinone compounds and use thereof OPRL1, OPRD1, OPRK1 ALDH1A1 295/4885GABRA1 686/4885GABRG2 864/4885
US-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP ALDH1A1 437/4885GABRA1 3754/4885GABRG2 3844/4885
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES NR5A1, SHBG, GNRHR ALDH1A1 3357/4885GABRA1 2408/4885GABRG2 2953/4885
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF OPRL1, OPRD1, OPRK1 ALDH1A1 295/4885GABRA1 686/4885GABRG2 864/4885

“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.