SCHEMBL13552155

SCHEMBL13552155

O=C(O)Cc1c[nH]c2cccc(CCS(=O)(=O)N3CCC4(CC3)N=C(C3CCCCC3)NC4=O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 7/20 0.56
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
DNMT1 P26358 1/20 0.36
RECQL P46063 1/20 0.36
CASP6 P55212 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CALCRL Q16602 1/20 0.35
SLC6A2 P23975 7/20 0.34
HTR2A P28223 7/20 0.34
HTR2C P28335 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL13552157 0.91 PTH1R (0.57) PTH1RALDH1A1MAPTCALCRLSLC6A2
SCHEMBL848228 0.91 PTH1R (0.53) PTH1RMEN1KMT2AMAPTRECQL
SCHEMBL16302323 0.88 PTH1R (0.56) PTH1RCALCRLSLC6A2HTR2AHTR2C
SCHEMBL847507 0.85 PTH1R (0.55) PTH1RCALCRLSLC6A2HTR2A
SCHEMBL848130 0.85 PTH1R (0.52) PTH1RCALCRLSLC6A2HTR2AHTR2C
SCHEMBL847212 0.81 PTH1R (0.57) PTH1RCALCRL
SCHEMBL13552158 0.81 PTH1R (0.62) PTH1RALDH1A1CALCRL
SCHEMBL848117 0.78 PTH1R (0.59) PTH1RMEN1KMT2ACALCRL
SCHEMBL847254 0.78 PTH1R (0.57) PTH1RALDH1A1KDM4ECALCRL
SCHEMBL13552086 0.78 PTH1R (0.61) PTH1RCALCRL

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 7 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

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 PTH1R 1869/4885ALDH1A1 836/4885KDM4E 2949/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTH1R 1869/4885ALDH1A1 836/4885KDM4E 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.