SCHEMBL725194

SCHEMBL725194

CC(c1cc2ccccc2[nH]1)N(C)C(=O)C=Cc1ccc(Nc2ccccn2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
PADI4 Q9UM07 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
DHODH Q02127 1/20 0.34
IDO1 P14902 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TLR4 O00206 1/20 0.33
TLR2 O60603 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL725193 1.00 ALOX5 (0.41) ALOX5PADI4HDAC1HDAC3HDAC4
SCHEMBL726547 0.90 ALOX5 (0.41) ALOX5PADI4HDAC1HDAC3HDAC4
SCHEMBL726545 0.90 ALOX5 (0.41) ALOX5PADI4HDAC1HDAC3HDAC4
SCHEMBL725330 0.89 ALOX5 (0.43) ALOX5PADI4HDAC1HDAC3HDAC4
SCHEMBL725328 0.89 ALOX5 (0.43) ALOX5PADI4HDAC1HDAC3HDAC4
SCHEMBL726509 0.87 ALOX5 (0.42) ALOX5PADI4HDAC1HDAC3HDAC4
SCHEMBL726507 0.87 ALOX5 (0.42) ALOX5PADI4HDAC1HDAC3HDAC4
SCHEMBL6639678 0.86 ALOX5 (0.38) ALOX5PADI4HDAC1HDAC3HDAC4
SCHEMBL725222 0.86 ALOX5 (0.41) ALOX5PADI4HDAC1HDAC3HDAC4
SCHEMBL725224 0.86 ALOX5 (0.41) ALOX5PADI4HDAC1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 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-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 ALOX5 2861/4885PADI4 1561/4885HDAC1 87/4885
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 ALOX5 346/4885PADI4 659/4885HDAC1 488/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 ALOX5 2861/4885PADI4 1561/4885HDAC1 87/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 ALOX5 2861/4885PADI4 1561/4885HDAC1 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.