SCHEMBL13065643

SCHEMBL13065643

OB(O)c1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
PAX8 Q06710 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
AAK1 Q2M2I8 8/20 0.35
MGLL Q99685 2/20 0.35
CYP3A4 P08684 2/20 0.35
GSK3A P49840 1/20 0.35
PRKG2 Q13237 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
SCHEMBL850193 0.89 HTT (0.41) KDM4EMEN1MAPTHTTKMT2A
SCHEMBL10290933 0.86 KDM4E (0.41) KDM4EMEN1MAPTHTTKMT2A
SCHEMBL13065642 0.83 ENPP2 (0.48) KDM4EMEN1MAPTHTTKMT2A
SCHEMBL3587911 0.82 AAK1 (0.38) KDM4EMEN1MAPTHTTKMT2A
SCHEMBL880123 0.82 MGLL (0.37) KDM4EMEN1MAPTHTTKMT2A
SCHEMBL849745 0.80 ENPP2 (0.36) KDM4EMEN1MAPTHTTKMT2A
SCHEMBL29955864 0.79 RXRA (0.50) CYP2C9CYP2C19MGLLRXRARXRB
SCHEMBL3113375 0.79 RXRA (0.50) CYP2C9CYP2C19MGLLRXRARXRB
SCHEMBL1629456 0.78 S1PR1 (0.44) MGLLS1PR1
SCHEMBL17815720 0.78 MEN1 (0.51) KDM4EMEN1MAPTHTTKMT2A

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 6 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-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

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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 KDM4E 2949/4885MEN1 276/4885MAPT 3000/4885

“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.