SCHEMBL727238

SCHEMBL727238

Cc1ccc2[nH]cc(C(C)N(C)C(=O)/C=C/c3ccc(N)nc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GUSB P08236 9/20 0.35
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
NR4A2 P43354 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HTR1D P28221 1/20 0.32
HTR2A P28223 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
TDO2 P48775 1/20 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
SCHEMBL727239 1.00 KDM4E (0.35) KDM4EHSD17B10LMNARAB9AALDH1A1
SCHEMBL725922 0.93 TDO2 (0.34) LMNARAB9AALDH1A1NR4A2HTR2A
SCHEMBL725923 0.93 TDO2 (0.34) LMNARAB9AALDH1A1NR4A2HTR2A
SCHEMBL726580 0.90 HTR2A (0.36) GUSBTHRATHRBNR4A2MTNR1A
SCHEMBL727147 0.90 TDO2 (0.40) KDM4EGUSBTHRATHRBHTR2A
SCHEMBL726579 0.90 HTR2A (0.36) GUSBTHRATHRBNR4A2MTNR1A
SCHEMBL727146 0.90 TDO2 (0.40) KDM4EGUSBTHRATHRBHTR2A
SCHEMBL726414 0.88 HTR2A (0.45) KDM4ELMNARAB9AALDH1A1THRA
SCHEMBL726415 0.88 HTR2A (0.45) KDM4ELMNARAB9AALDH1A1THRA
SCHEMBL725022 0.87 HDAC3 (0.43) RAB9AALDH1A1HTR2A

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
WO-2011156811-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-12-15 WO 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-7524843-B2 N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide as an enzyme inhibitor for both Fab I and Fab K which are used in the biosynthesis of fatty acids; enoyl-acyl-carrier protein renamed Fab 1; bactericides; fungicides; Staphylococcus aureus; antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-04-28 US disclosed
US-20080125423-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2008-05-29 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 KDM4E 4583/4885HSD17B10 917/4885LMNA 3308/4885
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 KDM4E 2691/4885HSD17B10 291/4885LMNA 3659/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 KDM4E 4583/4885HSD17B10 917/4885LMNA 3308/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 KDM4E 4583/4885HSD17B10 917/4885LMNA 3308/4885

“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.