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Sugi Predict / Compounds / SCHEMBL726893

SCHEMBL726893

SCHEMBL726893

CC(c1c(Cl)[nH]c2ccccc12)N(C)C(=O)/C=C/c1ccc(N)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PADI4 Q9UM07 2/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ GABRA1 P14867 3/20 0.32
▸ GABRG2 P18507 3/20 0.32
▸ GABRB3 P28472 3/20 0.32
▸ GABRA5 P31644 3/20 0.32
▸ GABRA3 P34903 3/20 0.32
▸ GABRA2 P47869 3/20 0.32

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
SCHEMBL726894 1.00 PADI4 (0.37) PADI4BCHEACHEHDAC1HDAC3
SCHEMBL726489 0.89 PADI4 (0.39) PADI4BCHEACHEHDAC1HDAC3
SCHEMBL726490 0.89 PADI4 (0.39) PADI4BCHEACHEHDAC1HDAC3
SCHEMBL725685 0.83 PADI4 (0.39) PADI4BCHEACHEHDAC1HDAC3
SCHEMBL725684 0.83 PADI4 (0.39) PADI4BCHEACHEHDAC1HDAC3
SCHEMBL725022 0.80 HDAC3 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL725602 0.80 HDAC1 (0.34) PADI4BCHEACHEHDAC1HDAC3
SCHEMBL725023 0.80 HDAC3 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL725604 0.80 HDAC1 (0.34) PADI4BCHEACHEHDAC1HDAC3
SCHEMBL726460 0.79 MAPT (0.41) PADI4BCHEACHEHDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116394-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2006-06-01 — — US claimed
EP-1560584-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-10-12 — — EP claimed
EP-1560584-A2 FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2005-08-10 — — EP claimed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 — — US claimed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 — — 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-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 — — US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 — — US disclosed
WO-2011156811-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-12-15 — — WO disclosed
US-20110098277-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-04-28 — — US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 — — US disclosed
US-20060116394-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2006-06-01 — — US disclosed
US-7049310-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-05-23 — — US disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 — — EP disclosed
EP-1560584-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-10-12 — — EP disclosed
EP-1560584-A2 FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2005-08-10 — — EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 — — WO disclosed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 — — US disclosed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 — — 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 (5 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-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 PADI4 659/4885BCHE 86/4885ACHE 354/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 PADI4 1179/4885BCHE 2124/4885ACHE 3563/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF PADI4 2492/4885BCHE 980/4885ACHE 658/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 PADI4 1135/4885BCHE 2163/4885ACHE 3441/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 PADI4 1179/4885BCHE 2124/4885ACHE 3563/4885

“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.