SCHEMBL23910369

SCHEMBL23910369

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.35
PTGER1 P34995 1/20 0.33
MARS1 P56192 1/20 0.33
KLKB1 P03952 1/20 0.32
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
CYP3A4 P08684 1/20 0.30
DGAT1 O75907 2/20 0.30

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
SCHEMBL28562263 0.92 NPC1 (0.33) NPC1L3MBTL1SMN1; SMN2ALDH1A1GLA
SCHEMBL23910436 0.88 ALDH1A1 (0.36) KLKB1NPC1ALDH1A1GAADGAT1
SCHEMBL26675183 0.86 GAA (0.40) NPC1L3MBTL1HTTGAADGAT1
SCHEMBL23910452 0.82 POLB (0.39) NPC1ALDH1A1DGAT1
SCHEMBL168484 0.82 GAA (0.37) HTTALDH1A1GAADGAT1
SCHEMBL28558156 0.81 HIF1A (0.36) PTGER1ALDH1A1
SCHEMBL28394145 0.81 DGAT1 (0.35) DGAT1
SCHEMBL29663436 0.81 KLKB1 (0.36) P2RY14PTGER1MARS1KLKB1NPC1
SCHEMBL30027068 0.80 PTGER1 (0.41) PTGER1
SCHEMBL28912730 0.80 NPC1 (0.35) NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778311-B Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-06-04 CN disclosed
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-112778311-A Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-05-11 CN 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 P2RY14 14/4885PTGER1 55/4885MARS1 4530/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 P2RY14 14/4885PTGER1 56/4885MARS1 4515/4885

“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.