SCHEMBL848037

SCHEMBL848037

CN(C)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
HTT P42858 2/20 0.60
EPHX1 P07099 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
LMNA P02545 3/20 0.59
XBP1 P17861 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.56
RAF1 P04049 1/20 0.55
TMPRSS4 Q9NRS4 1/20 0.52
APEX1 P27695 1/20 0.50
TAS2R14 Q9NYV8 1/20 0.49

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
SCHEMBL10913149 0.83 TP53 (0.57) TP53TMPRSS4APEX1
SCHEMBL1431941 0.83 EPHX1 (0.74) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL30977691 0.83 EPHX1 (0.74) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL11567653 0.82 KDR (0.69) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL8527587 0.80 MAPT (0.64) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL2705806 0.80 MAPT (0.64) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL11202141 0.80 APEX1 (0.54) MEN1KMT2AHTTTP53APEX1
SCHEMBL11721130 0.79 TP53 (0.54) MAPTMEN1KMT2AHTTLMNA
SCHEMBL18197786 0.79 EPHX1 (0.61) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL11511219 0.79 LMNA (0.63) MAPTMEN1KMT2ANPSR1HTT

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 10 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
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP 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
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP 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

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 MAPT 3000/4885MEN1 276/4885KMT2A 3163/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 MAPT 3000/4885MEN1 276/4885KMT2A 3163/4885

“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.