SCHEMBL20564253

SCHEMBL20564253

Cc1c(/C=C/[N+](=O)[O-])ccc2c1OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 4/20 0.44
MITF O75030 3/20 0.44
NTSR1 P30989 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MTOR P42345 1/20 0.42
VCP P55072 1/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
HSP90AA1 P07900 1/20 0.42
FBP1 P09467 4/20 0.39
RXRA P19793 1/20 0.39
PRMT1 Q99873 1/20 0.38
KDM4E B2RXH2 2/20 0.36
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36

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
SCHEMBL20564254 1.00 ALDH1A1 (0.44) ALDH1A1MAPTHPGDMITFNTSR1
SCHEMBL1009957 0.80 KDM4E (0.56) ALDH1A1MAPTHPGDMITFNTSR1
SCHEMBL1009956 0.80 KDM4E (0.56) ALDH1A1MAPTHPGDMITFNTSR1
SCHEMBL3273390 0.77 KCNJ1 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL8403306 0.73 TXNRD1 (0.50) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL22166663 0.70 VCP (0.41) ALDH1A1MAPTHPGDMITFNTSR1
SCHEMBL28594822 0.69 RXRA (0.54) ALDH1A1MAPTHPGDMITFNTSR1
SCHEMBL2742581 0.69 VCP (0.82) MAPTMITFNPC1RAB9AMTOR
SCHEMBL4997484 0.69 VCP (0.82) MAPTMITFNPC1RAB9AMTOR
SCHEMBL1010263 0.68 VCP (0.53) ALDH1A1MAPTMITFNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885MAPT 4627/4885HPGD 135/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885MAPT 4627/4885HPGD 135/4885

“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.