SCHEMBL2454466

SCHEMBL2454466

Cc1nn(C(C)(C)C)c(C)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
RAB9A P51151 4/20 0.40
MAPK1 P28482 4/20 0.40
NPC1 O15118 3/20 0.40
XBP1 P17861 2/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
POLB P06746 1/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 3/20 0.32
PARP1 P09874 2/20 0.32
HTT P42858 2/20 0.32
CYP2C9 P11712 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP1A2 P05177 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL5717566 0.74 ALDH1A1 (0.63) MAPTRAB9AMAPK1NPC1XBP1
SCHEMBL5717734 0.73 ALDH1A1 (0.45) MAPTRAB9AMAPK1NPC1XBP1
SCHEMBL22412371 0.73 MAPT (0.39) MAPTRAB9AMAPK1NPC1XBP1
SCHEMBL22412373 0.73 MAPT (0.39) MAPTRAB9AMAPK1NPC1XBP1
SCHEMBL211332 0.71 ALDH1A1 (0.55) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL22412654 0.71 P2RX7 (0.39) MAPTRAB9AMAPK1NPC1XBP1
SCHEMBL13148355 0.70 HPGD (0.37) MAPTRAB9AMAPK1NPC1XBP1
SCHEMBL15716050 0.69 HPGD (0.36) SMN1; SMN2HPGDPARP1
SCHEMBL4126301 0.68 LMNA (0.38) MAPTRAB9AMAPK1NPC1XBP1
SCHEMBL23399681 0.67 HPGD (0.35) MAPTRAB9AMAPK1NPC1XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656467-B Organic compounds, mixtures, compositions and organic electronic devices 广州华睿光电材料有限公司 2024-06-25 CN disclosed
CN-114685458-B Organic compound and application thereof 广州华睿光电材料有限公司 2024-03-08 CN disclosed
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-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 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-114685458-A Organic compound and application thereof 广州华睿光电材料有限公司 2022-07-01 CN disclosed
CN-114656467-A Organic compound, mixture, composition and organic electronic device 广州华睿光电材料有限公司 2022-06-24 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-20150044233-A1 GANGLIOSIDE GD2 AS A MARKER AND TARGET ON CANCER STEM CELLS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-02-12 US disclosed
WO-2013130603-A1 GANGLIOSIDE GD2 AS A MARKER AND TARGET ON CANCER STEM CELLS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-09-06 WO disclosed
EP-2010535-B1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2012-07-11 EP disclosed
US-8026244-B2 Thioxanthine derivatives and their use as inhibitors of MPO ASTRAZENECA AB (SE) 2011-09-27 US disclosed
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-06-11 US disclosed
EP-2010535-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 US disclosed
WO-2007120098-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 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-20150044233-A1 GANGLIOSIDE GD2 AS A MARKER AND TARGET ON CANCER STEM CELLS GALNT2, NEU2, GALNT3 MAPT 4456/4885RAB9A 1445/4885MAPK1 2189/4885
US-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof PTPN1, PTPN2, PTPN18 MAPT 2908/4885RAB9A 2264/4885MAPK1 225/4885
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX MAPT 4043/4885RAB9A 3193/4885MAPK1 2502/4885
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 MAPT 572/4885RAB9A 2325/4885MAPK1 2345/4885

“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.