SCHEMBL17005844

SCHEMBL17005844

COC(=O)N1CCN(Cc2ccn(Cc3cc(C)ccc3C)c(=O)c2O)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 4/20 0.53
▸ EGLN1 Q9GZT9 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.45
▸ COMT P21964 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL17005896 0.92 VEGFA (0.53) VEGFAEGLN1ALDH1A1COMTMEN1
SCHEMBL17005838 0.92 ALDH1A1 (0.54) VEGFAEGLN1ALDH1A1TP53MEN1
SCHEMBL28572933 0.89 VEGFA (0.68) VEGFAEGLN1ALDH1A1COMTTP53
SCHEMBL17005902 0.89 VEGFA (0.53) VEGFAEGLN1ALDH1A1COMTDRD2
SCHEMBL17005914 0.88 VEGFA (0.55) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL17005945 0.87 VEGFA (0.62) VEGFAEGLN1ALDH1A1KDM4ELMNA
SCHEMBL17005966 0.86 VEGFA (0.67) VEGFAEGLN1ALDH1A1TP53MEN1
SCHEMBL17005912 0.85 VEGFA (0.60) VEGFAEGLN1ALDH1A1KDM4E
SCHEMBL17005837 0.85 VEGFA (0.57) VEGFAEGLN1ALDH1A1TP53MEN1
SCHEMBL17005866 0.84 VEGFA (0.53) VEGFAEGLN1ALDH1A1COMTMEN1

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-106232120-B Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2- (1H) -ones 爱尔皮奥治疗有限公司 2021-01-08 — — CN disclosed
EP-3107542-B1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS INC (US) 2019-05-01 — — EP disclosed
EP-3107542-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES Aerpio Therapeutics, Inc. (US) 2016-12-28 — — EP disclosed
US-9388135-B2 Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2-(1H)-ones AERPIO THERAPEUTICS, INC. (US) 2016-07-12 — — US disclosed
WO-2015126860-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS, INC. (US) 2015-08-27 — — WO disclosed
US-20150232425-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS, INC. 2015-08-20 — — 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 (1 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-20150232425-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES CYP4B1, CYP8B1, HPD VEGFA 4681/4885EGLN1 102/4885ALDH1A1 1501/4885

“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.

Send feedback