SCHEMBL20564159

SCHEMBL20564159

O=[N+]([O-])/C=C/c1ccc2ccccc2c1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.66
MAOB P27338 1/20 0.49
MAPT P10636 9/20 0.47
NPSR1 Q6W5P4 8/20 0.47
ALDH1A1 P00352 7/20 0.47
LMNA P02545 5/20 0.47
HPGD P15428 3/20 0.47
ALOX12 P18054 2/20 0.47
NTSR1 P30989 1/20 0.47
CCR6 P51684 1/20 0.47
MCL1 Q07820 1/20 0.47
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
FBP1 P09467 2/20 0.44
HSP90AA1 P07900 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43

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
SCHEMBL20564161 1.00 RXRA (0.66) RXRAMAOBMAPTNPSR1ALDH1A1
SCHEMBL1318029 0.80 RXRA (1.00) RXRAMAPTNPSR1ALDH1A1LMNA
SCHEMBL29925681 0.80 RXRA (1.00) RXRAMAPTNPSR1ALDH1A1LMNA
SCHEMBL1318026 0.80 RXRA (1.00) RXRAMAPTNPSR1ALDH1A1LMNA
SCHEMBL21831542 0.77 RXRA (0.57) RXRAMAPTNPSR1ALDH1A1LMNA
SCHEMBL21831540 0.77 RXRA (0.57) RXRAMAPTNPSR1ALDH1A1LMNA
SCHEMBL20562847 0.77 RXRA (0.60) RXRAMAPTNPSR1ALDH1A1LMNA
SCHEMBL20562851 0.77 RXRA (0.60) RXRAMAPTNPSR1ALDH1A1LMNA
SCHEMBL28204740 0.74 RXRA (0.76) RXRAMAPTNPSR1ALDH1A1LMNA
SCHEMBL27947394 0.74 RXRA (0.76) RXRAMAPTNPSR1ALDH1A1LMNA

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 RXRA 320/4885MAOB 734/4885MAPT 4627/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 RXRA 320/4885MAOB 734/4885MAPT 4627/4885

“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.