SCHEMBL2824162

SCHEMBL2824162

CCOC(=O)Cc1c(C)noc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MAPK1 P28482 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.44
P2RX7 Q99572 1/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44

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
SCHEMBL18255993 0.84 P2RX7 (0.49) ALDH1A1HTTL3MBTL1ALOX15CRHBP
SCHEMBL23869398 0.78 P2RX7 (0.47) ALDH1A1KMT2AMEN1P2RX7
SCHEMBL10242696 0.77 P2RX7 (0.49) ALDH1A1KMT2AMEN1P2RX7
SCHEMBL2972393 0.77 P2RX7 (0.53) ALDH1A1KMT2AMEN1ATMP2RX7
SCHEMBL2172793 0.77 P2RX7 (0.49) ALDH1A1L3MBTL1KMT2AMEN1P2RX7
SCHEMBL8330498 0.76 ALDH1A1 (0.48) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL15343539 0.76 P2RX7 (0.45) ALDH1A1KMT2AMEN1P2RX7
SCHEMBL25664507 0.76 GAA (0.57) ALDH1A1L3MBTL1KDM4EMAPK1KMT2A
Hydrochloric Acid SCHEMBL1372267 0.76 P2RX7 (0.48) ALDH1A1L3MBTL1KMT2AMEN1P2RX7
SCHEMBL14759859 0.76 P2RX7 (0.48) ALDH1A1L3MBTL1KMT2AMEN1P2RX7

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
CN-116332873-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-06-27 CN disclosed
CN-114025844-B Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2022-07-26 CN disclosed
CN-114025844-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2022-02-08 CN disclosed
EP-3938038-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Calico Life Sciences LLC (US) 2022-01-19 EP disclosed
US-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof ABBVIE INC. (US) 2020-12-01 US disclosed
US-20200299246-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-24 US disclosed
WO-2020186199-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-17 WO disclosed
WO-2013083991-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL INNOVATIONS LIMITED (GB) 2013-06-13 WO disclosed
WO-2013083991-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL INNOVATIONS LIMITED (GB) 2013-06-13 WO disclosed
EP-1937688-B1 IMIDAZO BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7507729-B2 for the treatment of cognitive disorders, anxiety, schizophrenia, and Alzheimer's disease; ligands; GABA A alpha 5 receptor inhibitors; 3-bromo-10-chloro-6-(2-oxo-pyrrolidin-1-ylmethyl)-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 US disclosed
US-5977118-A 6-substituted pyrazolo[3,4-d]pyrimidin-4-ones and compositions and methods of use thereof SANOFI (FR) 1999-11-02 US disclosed
EP-0813527-A4 6-SUBSTITUTED PYRAZOLO 3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 1998-09-09 EP disclosed
CN-1177960-A 6-substituted pyrazolo (3, 4 -d) pyrimidin -4 ones and compositions and methods of use thereof SANOFI WINTHROP INC (US) 1998-04-01 CN disclosed
EP-0813527-A1 6-SUBSTITUTED PYRAZOLO 3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI PHARMACEUTICALS, INC. (US) 1997-12-29 EP disclosed
US-5656629-A CYCLIC GUANOSINE MONOPHSPHATE-PHOSPHODIESTERASE INHIBITOR; USEFUL FOR TREATING HEART FAILURE AND/OR HYPERTENSION SANOFI WINTHROP, INC. (US) 1997-08-12 US disclosed
WO-1996028429-A1 6-SUBSTITUTED PYRAZOLO [3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 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 (3 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-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof PTPN1, PTPN2, PTPN18 ALDH1A1 3671/4885HTT 1975/4885L3MBTL1 3049/4885
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 ALDH1A1 313/4885HTT 2128/4885L3MBTL1 2443/4885
US-20200299246-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 ALDH1A1 3671/4885HTT 1975/4885L3MBTL1 3049/4885

“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.