SCHEMBL4773352

SCHEMBL4773352

O=CN(O)CCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.60
HDAC8 Q9BY41 6/20 0.60
HDAC6 Q9UBN7 5/20 0.60
HDAC1 Q13547 4/20 0.60
ALOX5 P09917 3/20 0.54
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
ADRA1A P35348 2/20 0.48
SLC6A3 Q01959 2/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL4769805 0.94 HDAC2 (0.62) HDAC2HDAC8HDAC6HDAC1ALOX5
SCHEMBL2496845 0.88 HDAC2 (0.55) HDAC2HDAC8HDAC6HDAC1ALOX5
SCHEMBL1585361 0.81 CYP1A2 (0.44) HDAC2HDAC8HDAC6HDAC1ALOX5
SCHEMBL6981878 0.80 KCNH2 (0.52) HDAC2HDAC8HDAC6HDAC1ALOX5
SCHEMBL7415148 0.78 ALOX5 (0.51) HDAC2HDAC8HDAC6HDAC1ALOX5
SCHEMBL10932714 0.77 ALOX5 (0.58) HDAC2HDAC8HDAC6HDAC1ALOX5
SCHEMBL25950098 0.77 ALOX5 (0.58) HDAC2HDAC8HDAC6HDAC1ALOX5
SCHEMBL5548324 0.77 AOC3 (0.58) ADRA1ASLC6A3CHRM2HTR1AADRA2A
SCHEMBL6232723 0.77 AOC3 (0.58) ALOX5ADRA1ASLC6A3CHRM2HTR1A
SCHEMBL5540861 0.76 SIGMAR1 (0.47) ALOX5ADRA1ASLC6A3CHRM2HTR1A

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-7115605-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-10-03 US claimed
WO-2001085170-A9 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-01-26 WO claimed
US-20040192719-A1 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
US-20040053932-A1 Peptide deformylase inhibtors GLAXOSMITHKLINE LLC 2004-03-18 US claimed
CN-107875145-A A kind of compound α ketone acids piece and its preparation technology 浙江昂利康制药股份有限公司 2018-04-06 CN disclosed
EP-1283711-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-19 EP disclosed
US-7115605-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-10-03 US disclosed
WO-2001085170-A9 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-01-26 WO disclosed
EP-1534281-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) Astrazeneca AB (SE) 2005-06-01 EP disclosed
US-6806369-B2 N-FORMYL-N-HYDROXY-2-(5-ISOQUINOLINOXY)ETHYLAMINE ANTI-BACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2004-10-19 US disclosed
US-20040192719-A1 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
US-20040053932-A1 Peptide deformylase inhibtors GLAXOSMITHKLINE LLC 2004-03-18 US disclosed
WO-2004006925-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) ASTRAZENECA AB (SE) 2004-01-22 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 (2 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-20040053932-A1 Peptide deformylase inhibtors PDF, VIP, SPPL2B HDAC2 3662/4885HDAC8 3540/4885HDAC6 776/4885
US-20040192719-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 HDAC2 3549/4885HDAC8 2220/4885HDAC6 1261/4885

“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.