SCHEMBL2362973

SCHEMBL2362973

CCOC(=O)c1ccc2nccc-2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
CDC7 O00311 5/20 0.50
DBF4 Q9UBU7 5/20 0.50
LMNA P02545 1/20 0.46
JMJD6 Q6NYC1 3/20 0.44
ERN1 O75460 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NUDT1 P36639 1/20 0.40

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
SCHEMBL13185669 0.87 KDM4E (0.61) HDAC3HDAC4HDAC1HDAC6CDC7
SCHEMBL13992613 0.82 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6CDC7
SCHEMBL13994778 0.80 CDC7 (0.61) HDAC3HDAC4HDAC1HDAC6CDC7
SCHEMBL2200209 0.80 ERN1 (0.45) HDAC3HDAC4HDAC1HDAC6CDC7
SCHEMBL7018973 0.79 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC6CDC7
SCHEMBL5793863 0.78 AKT3 (0.61)
SCHEMBL2492178 0.78 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC6CDC7
SCHEMBL13994818 0.77 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC6CDC7
SCHEMBL622871 0.77 CDC7 (0.63) HDAC3HDAC4HDAC1HDAC6CDC7
SCHEMBL17201672 0.77 ERN1 (0.48) HDAC3HDAC4HDAC1HDAC6CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173646-B2 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-05-08 US disclosed
US-20110190283-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-08-04 US disclosed
US-7790716-B2 fatty acid biosynthesis inhibitors such as E)-3-(6-aminopyridin-3-yl)-N-methyl-N-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)acrylamide, used fro the treatment of bacterial infections; antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-09-07 US disclosed
US-20090275572-A1 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-7557125-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-07-07 US disclosed
US-7048926-B2 Methods of agonizing and antagonizing FabK AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-05-23 US disclosed
US-20050250810-A1 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-11-10 US disclosed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US disclosed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 EP disclosed
US-20040053814-A1 Methods of agonizing and antagonizing FabK DEBIOPHARM INTERNATIONAL SA (CH) 2004-03-18 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 (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-20040053814-A1 Methods of agonizing and antagonizing FabK ANTXR2, FPR3, BDKRB2 HDAC3 1240/4885HDAC4 2294/4885HDAC1 2115/4885
US-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 HDAC3 804/4885HDAC4 1047/4885HDAC1 87/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 HDAC3 804/4885HDAC4 1047/4885HDAC1 87/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 HDAC3 804/4885HDAC4 1047/4885HDAC1 87/4885

“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.