SCHEMBL17005932

SCHEMBL17005932

COc1ccccc1Cn1ccc(CN2CCN(C(=O)O)CC2)c(O)c1=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 3/20 0.58
▸ EGLN1 Q9GZT9 3/20 0.58
▸ KDM4E B2RXH2 5/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ HTT P42858 1/20 0.53
▸ CYP2D6 P10635 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL17005961 0.91 KDM4E (0.54) VEGFAEGLN1KDM4EALOX15ALDH1A1
SCHEMBL17005927 0.91 CYP2D6 (0.60) VEGFAEGLN1KDM4EALOX15ALDH1A1
SCHEMBL17005930 0.89 VEGFA (0.55) VEGFAEGLN1KDM4EALOX15ALDH1A1
SCHEMBL17005867 0.89 ALDH1A1 (0.54) VEGFAEGLN1KDM4EALOX15ALDH1A1
SCHEMBL12649400 0.88 VEGFA (0.69) VEGFAEGLN1KDM4EALOX15ALDH1A1
SCHEMBL28567341 0.87 VEGFA (0.68) VEGFAEGLN1KDM4EALOX15ALDH1A1
SCHEMBL1773790 0.87 VEGFA (0.71) VEGFAEGLN1KDM4EALOX15ALDH1A1
SCHEMBL17005933 0.87 ALDH1A1 (0.57) VEGFAEGLN1KDM4EALDH1A1MEN1
SCHEMBL17005925 0.87 NPC1 (0.58) VEGFAEGLN1KDM4EALDH1A1MEN1
SCHEMBL17005957 0.86 VEGFA (0.61) VEGFAEGLN1KDM4EALDH1A1MEN1

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
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 VEGFA 4681/4885EGLN1 102/4885KDM4E 195/4885

“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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