SCHEMBL2445313

SCHEMBL2445313

O=C1OCCN1c1ccccc1C12CCCC1C2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
SLC9A3 P48764 1/20 0.33
HSD11B1 P28845 1/20 0.33
OPRL1 P41146 5/20 0.32
OPRM1 P35372 4/20 0.32
PARP1 P09874 1/20 0.32
MGLL Q99685 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KDM4E B2RXH2 1/20 0.31
KDM1A O60341 2/20 0.31
OPRK1 P41145 2/20 0.31
HTR7 P34969 2/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL3141267 0.75 RXFP1 (0.41) MGLLKDM4E
SCHEMBL4881017 0.68 MEN1 (0.38) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL7823337 0.68 KEAP1 (0.42) SLC9A3KDM4EHTR7
SCHEMBL7814732 0.68 KEAP1 (0.46) SLC9A3
SCHEMBL29557633 0.67 KEAP1 (0.44) KDM4ENOTUM
SCHEMBL138181 0.67 KEAP1 (0.44) KDM4ENOTUM
SCHEMBL1843566 0.66 KEAP1 (0.49) SLC9A3
SCHEMBL8308960 0.66 IDH1 (0.46) KDM4EHTR7
SCHEMBL4543332 0.66 DDB1 (0.50) MGLL
SCHEMBL3361698 0.66 MGLL (0.43) MGLLKDM4ENOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367820-B1 NOVEL ANTIMICROBIAL AGENTS PANACEA BIOTEC LTD (IN) 2016-09-21 EP disclosed
US-8841306-B2 Antimicrobials PANACEA BIOTEC LTD. (IN) 2014-09-23 US disclosed
US-20110245258-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD. (IN) 2011-10-06 US disclosed
EP-2367820-A2 Novel antimicrobials Panacea Biotec Limited (IN) 2011-09-28 EP disclosed
WO-2010058423-A2 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD. (IN) 2010-05-27 WO disclosed
WO-2009116090-A2 NOVEL ANTIMICROBIALS PANACEA BIOTEC LIMITED (IN) 2009-09-24 WO disclosed
WO-2008090570-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD (IN) 2008-07-31 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 (1 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-20110245258-A1 NOVEL ANTIMICROBIALS ECI1, XDH, CYP3A4 PRKAG1 3814/4885PRKAA1 1387/4885PRKAB1 3398/4885

“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.