SCHEMBL13554113

SCHEMBL13554113

CNc1cc(C)c(/C=C/S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(-c4cccc(-c5ccccc5)c4)c2)NC3=O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 8/20 0.34
USP2 O75604 4/20 0.33
CYP2C9 P11712 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPK1 P28482 2/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
RECQL P46063 2/20 0.31
NEK2 P51955 1/20 0.31
CYP3A4 P08684 1/20 0.31
HIF1A Q16665 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
SCHEMBL13553766 0.94 PTH1R (0.33) PTH1RALDH1A1CCNT1CDK9RECQL
SCHEMBL13553946 0.90 PTH1R (0.35) PTH1R
SCHEMBL16359151 0.90 USP2 (0.32) USP2CYP2C9HPGDSMN1; SMN2HSD17B10
SCHEMBL13554028 0.89 PTH1R (0.34) PTH1R
SCHEMBL16358333 0.88 PTH1R (0.34) PTH1R
SCHEMBL847774 0.86 PTH1R (0.35) PTH1R
SCHEMBL847773 0.86 PTH1R (0.35) PTH1R
SCHEMBL848419 0.86 PTH1R (0.44) PTH1RCCNT1CDK9
SCHEMBL848420 0.86 PTH1R (0.44) PTH1RCCNT1CDK9
SCHEMBL849391 0.84 PTH1R (0.51) PTH1RUSP2CYP2C9HPGDSMN1; SMN2

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 PTH1R 1869/4885USP2 4813/4885CYP2C9 702/4885

“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.