SCHEMBL4088660

SCHEMBL4088660

Nc1ncc(Br)cc1N1CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
HSD17B10 Q99714 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MAP3K14 Q99558 1/20 0.35
MEN1 O00255 2/20 0.33
DYRK1A Q13627 2/20 0.33
TSHR P16473 1/20 0.33
IDO1 P14902 1/20 0.33
NPC1 O15118 2/20 0.33
ROCK1 Q13464 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DHFR P00374 1/20 0.31
AURKA O14965 1/20 0.31

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
SCHEMBL16914120 0.90 HSD17B10 (0.49) KMT2AHTTHSD17B10KDM4EMEN1
SCHEMBL15616611 0.80 PTGS2 (0.39) KMT2AHTTHSD17B10KDM4EIDO1
SCHEMBL27946366 0.76 BCAT2 (0.45) KMT2AHTTKDM4EMAP3K14MEN1
SCHEMBL20528193 0.73 HTT (0.38) KMT2AHTTHSD17B10KDM4ENPC1
SCHEMBL29858551 0.72 HTT (0.47) KMT2AHTTKDM4EMEN1TSHR
SCHEMBL26917123 0.72 HTT (0.47) KMT2AHTTKDM4EMEN1TSHR
SCHEMBL25742603 0.72 PLAU (0.35) KMT2AHTTHSD17B10KDM4ENPC1
SCHEMBL15616587 0.70 GAA (0.46) KMT2AHTTKDM4EMEN1POLB
SCHEMBL30366380 0.70 GAA (0.46) KMT2AHTTKDM4EMEN1POLB
SCHEMBL29527271 0.70 HSD17B10 (0.44) KMT2AHTTHSD17B10MEN1TSHR

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-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 US disclosed
US-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 US disclosed
US-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2014-11-13 US disclosed
US-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2014-11-13 US disclosed
WO-2014072930-A2 FUSED PYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-05-15 WO disclosed
WO-2013080222-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2013-06-06 WO disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
EP-1973902-A2 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS Affinium Pharmaceuticals, Inc. (CA) 2008-10-01 EP disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 WO disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 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 (2 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-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS F12, FAR1, NQO2 KMT2A 4203/4885HTT 3642/4885HSD17B10 2327/4885
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI KMT2A 2385/4885HTT 2046/4885HSD17B10 1758/4885

“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.