SCHEMBL725744

SCHEMBL725744

CN(Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)C=Cc1ccc(N)nc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
BACE1 P56817 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
HTR6 P50406 2/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
POLB P06746 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL725741 1.00 HDAC1 (0.57) HDAC1HDAC2HDAC6BACE1HDAC3
SCHEMBL727347 0.89 HDAC1 (0.48) HDAC1HDAC2HDAC6POLB
SCHEMBL727344 0.89 HDAC1 (0.48) HDAC1HDAC2HDAC6POLB
SCHEMBL725021 0.86 HDAC1 (0.44) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL725024 0.86 HDAC1 (0.44) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL725502 0.84 HDAC1 (0.42) HDAC1HDAC2HDAC6POLB
SCHEMBL725499 0.84 HDAC1 (0.42) HDAC1HDAC2HDAC6POLB
SCHEMBL4479886 0.79 HDAC1 (0.51) HDAC1HDAC2HDAC6BACE1HDAC3
SCHEMBL4479873 0.79 HDAC1 (0.51) HDAC1HDAC2HDAC6BACE1HDAC3
SCHEMBL727134 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4803935-B2 2011-10-26 JP claimed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US claimed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 EP claimed
EP-1226138-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
EP-1226138-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 EP claimed
WO-2001027103-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (GB) 2001-04-19 WO claimed
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis DEBIOPHARM INTERNATIONAL SA (CH) 2013-10-24 US disclosed
EP-2579863-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS Affinium Pharmaceuticals, Inc. (CA) 2013-04-17 EP disclosed
US-8173646-B2 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-05-08 US disclosed
WO-2011156811-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-12-15 WO 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-20050250810-A1 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-11-10 US disclosed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 EP 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-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 HDAC1 87/4885HDAC2 806/4885HDAC6 356/4885
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 HDAC1 488/4885HDAC2 638/4885HDAC6 363/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 HDAC1 87/4885HDAC2 806/4885HDAC6 356/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 HDAC1 87/4885HDAC2 806/4885HDAC6 356/4885

“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.