SCHEMBL23910452

SCHEMBL23910452

C[Si](C)(C)CCOCn1nc(CO)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.31
DGAT1 O75907 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL23910411 0.86 DGAT1 (0.32) DGAT1
SCHEMBL28562263 0.84 NPC1 (0.33) NPC1DGAT1ALDH1A1LMNA
SCHEMBL168484 0.84 GAA (0.37) POLBMAPTDGAT1ALDH1A1LMNA
SCHEMBL28394145 0.83 DGAT1 (0.35) DGAT1LMNA
SCHEMBL23910369 0.82 P2RY14 (0.35) NPC1DGAT1ALDH1A1
SCHEMBL174907 0.82 DGAT1 (0.33) DGAT1
SCHEMBL23910436 0.80 ALDH1A1 (0.36) MAPTNPC1DGAT1ALDH1A1
SCHEMBL21222348 0.79 DGAT1 (0.33) DGAT1
SCHEMBL25183328 0.77 POLB (0.35) POLBMAPTNPC1DGAT1LMNA
SCHEMBL25109623 0.77 DGAT1 (0.34) NPC1DGAT1

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
CN-111527090-B Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors 拜耳公司 2023-05-26 CN disclosed
US-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-05-03 US disclosed
EP-3700907-B1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AG (DE) 2022-03-09 EP disclosed
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
CN-111527090-A Novel pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors 拜耳公司 2020-08-11 CN 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-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors P2RX3, P2RX1, P2RX5 POLB 2313/4885MAPT 2176/4885NPC1 2388/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 POLB 1708/4885MAPT 2053/4885NPC1 2398/4885

“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.