SCHEMBL850421

SCHEMBL850421

Cc1ccc(C2=NC3(CCN(S(=O)(=O)C=Cc4c(C)cc(C(=O)N5CCC(C)(O)CC5)cc4C)CC3)C(=O)N2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.36
NEK2 P51955 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
GPR183 P32249 1/20 0.32
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
CNR2 P34972 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL850420 1.00 PTH1R (0.36) PTH1RNEK2POLBMAPTALDH1A1
SCHEMBL850621 0.93 GRIN2B (0.37) PTH1RPOLBALDH1A1HTTLMNA
SCHEMBL850620 0.93 GRIN2B (0.37) PTH1RPOLBALDH1A1HTTLMNA
SCHEMBL848648 0.91 PTH1R (0.36) PTH1RLMNA
SCHEMBL848647 0.91 PTH1R (0.36) PTH1RLMNA
SCHEMBL849262 0.91 GPR183 (0.36) PTH1RPOLBALDH1A1HTTGPR183
SCHEMBL849261 0.91 GPR183 (0.36) PTH1RPOLBALDH1A1HTTGPR183
SCHEMBL850236 0.91 PTH1R (0.38) PTH1R
SCHEMBL850235 0.91 PTH1R (0.38) PTH1R
SCHEMBL880092 0.90 PTH1R (0.36) PTH1RALDH1A1HTT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP claimed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US claimed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP claimed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US claimed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP claimed
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
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
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 PTH1R 1869/4885NEK2 115/4885POLB 4431/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTH1R 1869/4885NEK2 115/4885POLB 4431/4885

“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.