SCHEMBL879678

SCHEMBL879678

O=C1NC(c2cc(Cl)cc(C(F)(F)F)c2)=NC12CCNCC2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
TACR1 P25103 3/20 0.39
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 3/20 0.39
MAPKAPK2 P49137 3/20 0.34
IDO1 P14902 1/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TSHR P16473 1/20 0.33
RORB Q92753 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
SCHEMBL879630 0.91 TSHR (0.39) TACR1SLC6A4MAPKAPK2IDO1TSHR
SCHEMBL13064777 0.86 RXRA (0.36) TACR1SLC6A4KCNH2MAPKAPK2IDO1
SCHEMBL879693 0.82 MAPKAPK2 (0.45) NOTUMMAPKAPK2IDO1
SCHEMBL879731 0.81 NISCH (0.45) NOTUMTACR1KCNH2MAPKAPK2
SCHEMBL10291126 0.79 PARP1 (0.36) SLC6A4MAPKAPK2TSHR
SCHEMBL879638 0.78 PGR (0.44) NOTUMSLC6A4
SCHEMBL13064674 0.78 PDE3B (0.44) NOTUMSLC6A4
SCHEMBL10291120 0.77 CNR1 (0.42) NOTUMCNR1CNR2
SCHEMBL13064576 0.76 AR (0.41)
SCHEMBL10290790 0.75 NISCH (0.49) CNR1CNR2

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 NOTUM 4118/4885TACR1 141/4885SLC6A4 165/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 NOTUM 4118/4885TACR1 141/4885SLC6A4 165/4885

“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.