SCHEMBL17005838

SCHEMBL17005838

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.54
▸ VEGFA P15692 3/20 0.53
▸ EGLN1 Q9GZT9 3/20 0.53
▸ KDM4E B2RXH2 6/20 0.47
▸ POLB P06746 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MPI P34949 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44

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
SCHEMBL17005857 0.92 VEGFA (0.53) ALDH1A1VEGFAEGLN1KDM4EPOLB
SCHEMBL17005844 0.92 VEGFA (0.53) ALDH1A1VEGFAEGLN1KDM4ETP53
SCHEMBL28572933 0.89 VEGFA (0.68) ALDH1A1VEGFAEGLN1TP53LMNA
SCHEMBL17005902 0.89 VEGFA (0.53) ALDH1A1VEGFAEGLN1KDM4ELMNA
SCHEMBL17005891 0.88 ALDH1A1 (0.57) ALDH1A1VEGFAEGLN1KDM4EPOLB
SCHEMBL17005848 0.87 VEGFA (0.62) ALDH1A1VEGFAEGLN1KDM4EPOLB
SCHEMBL17005962 0.86 VEGFA (0.67) ALDH1A1VEGFAEGLN1KDM4EPOLB
SCHEMBL17005970 0.85 VEGFA (0.60) ALDH1A1VEGFAEGLN1KDM4EPOLB
SCHEMBL17005883 0.85 VEGFA (0.57) ALDH1A1VEGFAEGLN1KDM4EPOLB
SCHEMBL17005896 0.84 VEGFA (0.53) ALDH1A1VEGFAEGLN1MAPTKMT2A

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 4 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
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
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 ALDH1A1 1501/4885VEGFA 4681/4885EGLN1 102/4885

“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.

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