SCHEMBL1491372

SCHEMBL1491372

COC(=O)C1NCCc2c1[nH]c1ccc(OC)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 1.00
MAPKAPK5 Q8IW41 1/20 0.80
HTR2B P41595 3/20 0.66
ALDH1A1 P00352 1/20 0.66
MAPT P10636 1/20 0.66
KMT2A Q03164 1/20 0.60
SIRT1 Q96EB6 1/20 0.57
HTR2A P28223 5/20 0.56
HTR2C P28335 5/20 0.56
HTR7 P34969 2/20 0.55
CHRM4 P08173 1/20 0.55
DRD2 P14416 1/20 0.55
HTR1A P08908 1/20 0.53
DRD4 P21917 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR1E P28566 1/20 0.53
DRD3 P35462 1/20 0.53
HTR3A P46098 1/20 0.53
HTR5A P47898 1/20 0.53

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
Hydrochloric Acid SCHEMBL6352215 0.99 MAPKAPK2 (0.98) MAPKAPK2MAPKAPK5HTR2BALDH1A1MAPT
SCHEMBL608164 0.89 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5HTR2BALDH1A1MAPT
SCHEMBL6352708 0.89 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5HTR2BALDH1A1MAPT
SCHEMBL12660570 0.89 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5HTR2BALDH1A1MAPT
SCHEMBL6235224 0.89 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5HTR2BALDH1A1MAPT
SCHEMBL6241157 0.88 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5HTR2BALDH1A1MAPT
SCHEMBL6239836 0.88 MAPKAPK2 (0.80) MAPKAPK2MAPKAPK5HTR2BALDH1A1MAPT
SCHEMBL6243021 0.87 MAPKAPK2 (0.82) MAPKAPK2MAPKAPK5HTR2BALDH1A1MAPT
SCHEMBL14924843 0.87 MAPKAPK2 (0.77) MAPKAPK2MAPKAPK5HTR2BSIRT1HTR2A
Hydrochloric Acid SCHEMBL6352337 0.86 MAPKAPK2 (0.96) MAPKAPK2MAPKAPK5HTR2BALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 US disclosed
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 MAPKAPK2 2180/4885MAPKAPK5 1542/4885HTR2B 4118/4885
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885MAPKAPK5 34/4885HTR2B 996/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 MAPKAPK2 4562/4885MAPKAPK5 4524/4885HTR2B 3042/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 MAPKAPK2 1644/4885MAPKAPK5 1955/4885HTR2B 3150/4885

“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.