SCHEMBL879670

SCHEMBL879670

O=C1NC(c2ccc(Cl)c(Cl)c2)=NC12CCNCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
AHR P35869 1/20 0.37
NOTUM Q6P988 1/20 0.37
SLC6A2 P23975 9/20 0.36
SLC6A4 P31645 9/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
KMO O15229 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL879612 0.87 PDE3B (0.41) CNR1CNR2SLC6A2SLC6A4PDE3B
SCHEMBL10290790 0.87 NISCH (0.49) CNR1CNR2KMOPGR
SCHEMBL13064674 0.84 PDE3B (0.44) MEN1KMT2ANOTUMSLC6A2SLC6A4
SCHEMBL10291120 0.83 CNR1 (0.42) CNR1CNR2MAPTNOTUMHTR2A
SCHEMBL879638 0.81 PGR (0.44) HTTNOTUMSLC6A4PGRHTR2A
SCHEMBL13551796 0.77 CNR1 (0.41) CNR1CNR2USP2MAPTKMT2A
SCHEMBL15515311 0.77 CHRNA7 (0.38) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL2426716 0.76 SIGMAR1 (0.42) USP2GAA
SCHEMBL879714 0.76 GSK3B (0.40) CNR1CNR2PDE3BPDE3A
Hydrochloric Acid SCHEMBL850774 0.76 CNR1 (0.41) CNR1CNR2USP2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 CNR1 973/4885CNR2 1502/4885KDM4E 2949/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 CNR1 973/4885CNR2 1502/4885KDM4E 2949/4885

“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.