SCHEMBL622181

SCHEMBL622181

[CH2]NC(=O)CCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.68
HDAC8 Q9BY41 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
HDAC1 Q13547 4/20 0.63
MAPT P10636 2/20 0.63
HTT P42858 1/20 0.63
ALDH1A1 P00352 2/20 0.61
KEAP1 Q14145 1/20 0.59
GAA P10253 2/20 0.58
TSHR P16473 1/20 0.56
FFAR1 O14842 1/20 0.55
KDM4E B2RXH2 1/20 0.54
RECQL P46063 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC5 Q9UQL6 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
SCHEMBL5182377 0.88 HDAC1 (0.70) HDAC2HDAC8HDAC6HDAC1ALDH1A1
SCHEMBL20597404 0.83 HDAC2 (0.73) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL1847911 0.81 HDAC2 (1.00) HDAC2HDAC8HDAC6HDAC1MAPT
Benzene SCHEMBL28125146 0.81 HDAC2 (1.00) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL6241717 0.80 KMT2A (0.57) HDAC2HDAC8HDAC6HDAC1FFAR1
SCHEMBL5196581 0.80 HDAC2 (0.63) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL9848998 0.79 HDAC2 (0.68) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL967387 0.79 HDAC2 (0.68) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL353132 0.79 HDAC2 (0.68) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL26333360 0.79 HDAC2 (0.68) HDAC2HDAC8HDAC6HDAC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173952-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 US claimed
US-20080161362-A1 Metalloprotein Inhibitors REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2008-07-03 US claimed
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases ASTRAZENECA AB (SE) 2008-06-12 US claimed
EP-1846394-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AstraZeneca AB (SE) 2007-10-24 EP claimed
US-20070117848-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO 2007-05-24 US claimed
EP-1755586-A2 HYDROXYPYRIDINONE, HYDROXYPYRIDINETHIONE, PYRONE, AND THIOPYRONE METALLOPROTEIN INHIBITORS The Regents of the University of California (US) 2007-02-28 EP claimed
WO-2006082392-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-08-10 WO claimed
WO-2006028523-A2 HYDROXYPYRIDINONE, HYDROXYPYRIDINETHIONE, PYRONE, AND THIOPYRONE METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO USDC Technology Transfer Office (US) 2006-03-16 WO claimed
WO-2005110399-A2 ZINC-BINDING GROUPS FOR METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
US-8835465-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2014-09-16 US disclosed
US-8466176-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-06-18 US disclosed
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-11 US disclosed
US-8324252-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2012-12-04 US disclosed
US-8318945-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-27 US disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
WO-2004096997-A2 MOLECULAR DETECTION SYSTEMS UTILIZING REITERATIVE OLIGONUCLEOTIDE SYNTHESIS RIBOMED BIOTECHNOLOGIES, INC. (US) 2004-11-11 WO disclosed
US-20040054162-A1 Molecular detection systems utilizing reiterative oligonucleotide synthesis RIBOMED BIOTECHNOLOGIES, INC. 2004-03-18 US disclosed
US-4324892-A 7-(N-Substituted-2-phenylglycinamido)-3-substituted-3-cephem-4-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-04-13 US disclosed
US-4172198-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-10-23 US 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 (6 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-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases CNKSR1, LTK, MUSK HDAC2 1495/4885HDAC8 1584/4885HDAC6 1322/4885
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 HDAC2 886/4885HDAC8 801/4885HDAC6 805/4885
US-20080161362-A1 Metalloprotein Inhibitors SOD1, ZFX, SOD3 HDAC2 249/4885HDAC8 658/4885HDAC6 445/4885
US-20040054162-A1 Molecular detection systems utilizing reiterative oligonucleotide synthesis POLRMT, RNGTT, POLI HDAC2 4424/4885HDAC8 2335/4885HDAC6 3243/4885
US-20100173952-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 HDAC2 249/4885HDAC8 658/4885HDAC6 445/4885
US-20070117848-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 HDAC2 249/4885HDAC8 658/4885HDAC6 445/4885

“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.