SCHEMBL879775

SCHEMBL879775

O=C1NC(C2CCCNC2)=NC12CCN(S(=O)(=O)c1cccc(Cl)c1)CC2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM4 P08173 1/20 0.39
MMP2 P08253 1/20 0.38
MAPT P10636 2/20 0.38
PTH1R Q03431 3/20 0.38
NEK2 P51955 1/20 0.38
MGLL Q99685 1/20 0.38
HSD11B1 P28845 1/20 0.38
HTR2C P28335 1/20 0.37
TP53 P04637 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL849271 0.93 HTR6 (0.44) HTR6MEN1KMT2AALDH1A1PTH1R
SCHEMBL848776 0.89 MEN1 (0.51) MEN1KMT2AALDH1A1CHRM4MMP2
SCHEMBL13555065 0.89 PTH1R (0.41) HTR6MEN1KMT2AALDH1A1MAPT
SCHEMBL849645 0.87 MEN1 (0.51) MEN1KMT2AALDH1A1CHRM4MAPT
SCHEMBL847907 0.84 KMT2A (0.48) MEN1KMT2AALDH1A1MAPTNEK2
SCHEMBL849723 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1CHRM4MAPT
SCHEMBL849312 0.84 MEN1 (0.46) HTR6MEN1KMT2AALDH1A1CHRM4
SCHEMBL847334 0.81 MGLL (0.46) MEN1KMT2AALDH1A1CHRM4MAPT
SCHEMBL849417 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1CHRM4MAPT
SCHEMBL848072 0.81 HSD11B1 (0.46) MEN1KMT2AALDH1A1CHRM4MAPT

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 8 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

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 HTR6 1419/4885MEN1 276/4885KMT2A 3163/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HTR6 1419/4885MEN1 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.