SCHEMBL17005898

SCHEMBL17005898

COC(=O)N1CCN(Cc2ccn(Cc3ccc(OC)cc3OC)c(=O)c2O)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ EGLN1 Q9GZT9 5/20 0.52
▸ VEGFA P15692 1/20 0.52
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ POLB P06746 3/20 0.48
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL17005893 0.92 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL17005913 0.92 NPC1 (0.54) ALDH1A1KDM4EEGLN1VEGFAMEN1
SCHEMBL17005933 0.91 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL28913770 0.91 EGLN1 (0.65) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL17028824 0.88 MEN1 (0.51) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL17005927 0.87 CYP2D6 (0.60) ALDH1A1KDM4EEGLN1VEGFAMEN1
SCHEMBL17005887 0.86 VEGFA (0.66) ALDH1A1KDM4ESMN1; SMN2EGLN1VEGFA
SCHEMBL17005938 0.85 VEGFA (0.59) ALDH1A1KDM4ETDP1GAAEGLN1
SCHEMBL17005923 0.85 NPC1 (0.52) ALDH1A1KDM4ESMN1; SMN2EGLN1VEGFA
SCHEMBL17005979 0.84 VEGFA (0.56) ALDH1A1KDM4EGAAEGLN1VEGFA

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 ALDH1A1 1501/4885KDM4E 195/4885TDP1 3373/4885

“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