SCHEMBL948834

SCHEMBL948834

CCOC(=O)/C=C/C(C(=O)OCC)=C(\C)N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.52
NPSR1 Q6W5P4 2/20 0.46
GLO1 Q04760 1/20 0.41
ALOX15 P16050 1/20 0.40
MAPT P10636 7/20 0.40
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.37
MDM2 Q00987 1/20 0.36
TTR P02766 1/20 0.35
DPP4 P27487 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4890688 0.89 HCAR2 (0.45) HCAR2NPSR1GLO1ALOX15MAPT
SCHEMBL14870465 0.89 HCAR2 (0.45) HCAR2NPSR1GLO1ALOX15MAPT
SCHEMBL29786598 0.87 GLO1 (0.42) HCAR2NPSR1GLO1ALOX15MAPT
SCHEMBL12913210 0.81 GLO1 (0.41) HCAR2NPSR1GLO1ALOX15MAPT
SCHEMBL3863889 0.77 NPSR1 (0.44) HCAR2NPSR1GLO1ALOX15MAPT
SCHEMBL3863887 0.77 NPSR1 (0.44) HCAR2NPSR1GLO1ALOX15MAPT
SCHEMBL13871299 0.77 NPSR1 (0.44) HCAR2NPSR1GLO1ALOX15MAPT
Diethyl Maleate SCHEMBL60423 0.77 HCAR2 (0.80) HCAR2NPSR1ALOX15MAPTALDH1A1
Diethyl Maleate SCHEMBL2015896 0.77 HCAR2 (0.80) HCAR2NPSR1ALOX15MAPTALDH1A1
Diethyl Maleate SCHEMBL43033 0.77 HCAR2 (0.80) HCAR2NPSR1ALOX15MAPTALDH1A1

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
US-20220002278-A9 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF SUZHOU INSTITUTE OF MATERIA MEDICA (CN) 2022-01-06 US disclosed
US-20210101891-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-04-08 US disclosed
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS R&D LTD (GB) 2020-11-19 US disclosed
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS R&D LTD (GB) 2020-11-19 US disclosed
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD. (GB) 2020-06-30 US disclosed
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD. (GB) 2020-06-30 US disclosed
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2018-08-30 US disclosed
US-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2017-10-19 US disclosed
US-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2017-10-19 US disclosed
US-9604975-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2017-03-28 US disclosed
US-9604975-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2017-03-28 US disclosed
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD (GB) 2015-04-09 US disclosed
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD (GB) 2015-04-09 US disclosed
US-8916591-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2014-12-23 US disclosed
US-8916591-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2014-12-23 US disclosed
EP-2294065-B1 INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS R&D LTD (GB) 2014-03-19 EP disclosed
EP-2294065-B1 INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS R&D LTD (GB) 2014-03-19 EP disclosed
EP-2294065-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY Vernalis (R&D) Ltd. (GB) 2011-03-16 EP disclosed
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2011-01-27 US disclosed
WO-2009093012-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2009-07-30 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 (8 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-20210101891-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF EP300, HDAC11, HDAC1 HCAR2 1544/4885NPSR1 3283/4885GLO1 3396/4885
US-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 HCAR2 1267/4885NPSR1 3638/4885GLO1 3303/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B HCAR2 4089/4885NPSR1 3698/4885GLO1 4169/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 HCAR2 1267/4885NPSR1 3638/4885GLO1 3303/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B HCAR2 4089/4885NPSR1 3698/4885GLO1 4169/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B HCAR2 4089/4885NPSR1 3698/4885GLO1 4169/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 HCAR2 996/4885NPSR1 4338/4885GLO1 4092/4885
US-20220002278-A9 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF EP300, HDAC11, HDAC1 HCAR2 1544/4885NPSR1 3283/4885GLO1 3396/4885

“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.