SCHEMBL23910323

SCHEMBL23910323

CCOC(=O)CCNC(C)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LTA4H P09960 3/20 0.46
SIGMAR1 Q99720 1/20 0.45
TOP2A P11388 1/20 0.44
GHSR Q92847 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPID Q08752 1/20 0.42
POLB P06746 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
SCHEMBL29428351 1.00 ALDH1A1 (0.46) ALDH1A1KDM4ELTA4HSIGMAR1TOP2A
SCHEMBL3423092 0.79 LTA4H (0.47) ALDH1A1KDM4ELTA4HTOP2ALMNA
SCHEMBL23901605 0.78 ALDH1A1 (0.54) ALDH1A1SIGMAR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL15251849 0.78 CTSK (0.49)
SCHEMBL27869981 0.78 CTSK (0.49)
SCHEMBL2479744 0.76 OPRK1 (0.55) LTA4HSIGMAR1SMN1; SMN2PPIDPOLB
SCHEMBL23910329 0.76 MMP9 (0.50)
SCHEMBL10472517 0.76 TDP1 (0.51) ALDH1A1LTA4HLMNAL3MBTL1SMN1; SMN2
SCHEMBL9625673 0.76 SIGMAR1 (0.59) SIGMAR1
SCHEMBL11796548 0.75 SIGMAR1 (0.57) ALDH1A1LTA4HSIGMAR1

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 6 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
US-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-05-03 US disclosed
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 US 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 ALDH1A1 1120/4885KDM4E 3924/4885LTA4H 783/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 ALDH1A1 1149/4885KDM4E 3993/4885LTA4H 845/4885

“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.