SCHEMBL23918756

SCHEMBL23918756

CCOC(=O)C1=C(O)C(=O)N(Cc2ccccn2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 2/20 0.51
CASP3 P42574 1/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM3 P20309 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL23918548 0.80 KMT2A (0.56) ALDH1A1KDM4ECASP3KMT2AMEN1
SCHEMBL23918746 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ECASP3KMT2AMEN1
SCHEMBL24379688 0.77 ALDH1A1 (0.53) ALDH1A1CASP3KMT2AMEN1CHRM1
SCHEMBL23910448 0.75 MEN1 (0.58) ALDH1A1KDM4ECASP3KMT2AMEN1
SCHEMBL9040274 0.72 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL23918738 0.71 CASP3 (0.51) ALDH1A1KDM4ECASP3KMT2AMEN1
SCHEMBL9208732 0.71 CASP3 (0.66) ALDH1A1KDM4ECASP3MAPTCHRM5
SCHEMBL9042389 0.70 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL7675663 0.70 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL23918723 0.70 ALDH1A1 (0.44) ALDH1A1KDM4ECASP3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3924/4885CASP3 1017/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 ALDH1A1 1149/4885KDM4E 3993/4885CASP3 1332/4885

“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.