SCHEMBL21526090

SCHEMBL21526090

CC(=O)C(Cc1ccccc1Cl)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MDM2 Q00987 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PNMT P11086 1/20 0.43
IDO1 P14902 1/20 0.43
CTBP2 P56545 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL28876911 0.94 PPARG (0.51) NPC1RAB9APPARGPPARAALDH1A1
SCHEMBL3796731 0.88 ALDH1A1 (0.49) NPC1RAB9APPARGPPARAALDH1A1
SCHEMBL3344661 0.87 EPHX2 (0.47) NPC1PPARGPPARAALDH1A1
SCHEMBL11242757 0.86 KMT2A (0.58) NPC1RAB9APPARGPPARAALDH1A1
SCHEMBL8076310 0.85 PNMT (0.48) SMN1; SMN2PNMTIDO1SLC6A2SLC6A4
SCHEMBL21400206 0.85 NPC1 (0.46) NPC1RAB9APPARGPPARAALDH1A1
SCHEMBL11567124 0.85 NPC1 (0.46) NPC1RAB9APPARGPPARAALDH1A1
SCHEMBL13235838 0.85 NPC1 (0.46) NPC1RAB9APPARGPPARAALDH1A1
SCHEMBL14271140 0.83 SLC6A2 (0.47) NPC1RAB9APPARGPPARAALDH1A1
SCHEMBL9767979 0.82 ALDH1A1 (0.52) NPC1RAB9APPARGPPARAALDH1A1

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
EP-3564216-B1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 EP disclosed
EP-3564216-B1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 EP disclosed
US-11034659-B2 Pyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-15 US disclosed
US-11034659-B2 Pyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-15 US disclosed
US-20200172494-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-06-04 US disclosed
US-20200172494-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-06-04 US disclosed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 EP disclosed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 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-11034659-B2 Pyrimidine derivative GPR39, CFTR, TMEM109 NPC1 787/4885RAB9A 1147/4885PPARG 566/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 NPC1 787/4885RAB9A 1147/4885PPARG 566/4885

“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.