SCHEMBL1124173

SCHEMBL1124173

Fc1c(N2CCOCC2)nc(N2CCN(Cc3ccccc3)CC2)nc1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.52
CASP5 P51878 1/20 0.52
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
DRD4 P21917 2/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.49
HSD11B1 P28845 1/20 0.46
ACHE P22303 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL1123931 1.00 CASP1 (0.52) CASP1CASP5KDM4EALDH1A1HPGD
SCHEMBL1124078 0.87 GAA (0.55) CASP1CASP5KDM4EALDH1A1HPGD
SCHEMBL12563111 0.84 CASP1 (0.58) CASP1CASP5KDM4EALDH1A1TSHR
SCHEMBL1123820 0.84 ALDH1A1 (0.58) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL1123997 0.84 ALDH1A1 (0.58) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL1124011 0.83 PIK3CA (0.49) CASP1CASP5KDM4E
SCHEMBL1123706 0.82 TSHR (0.52) CASP1CASP5KDM4EALDH1A1HPGD
SCHEMBL1123752 0.82 CASP1 (0.78) CASP1CASP5GAADRD4HTT
SCHEMBL1123839 0.79 ALDH1A1 (0.48) CASP1CASP5KDM4EALDH1A1HPGD
SCHEMBL1123872 0.79 ALDH1A1 (0.47) CASP1CASP5KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US claimed
EP-2284160-B1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KK (JP) 2013-05-15 EP claimed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US claimed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 EP claimed

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-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF CASP3, DPYD, CASP1 CASP1 3/4885CASP5 32/4885KDM4E 4265/4885

“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.