SCHEMBL17005847

SCHEMBL17005847

Cc1cccc(Cn2ccc(CN3CCN(C(=O)O)CC3)c(O)c2=O)c1C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 8/20 0.56
▸ EGLN1 Q9GZT9 8/20 0.56
▸ COMT P21964 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GPR6 P46095 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ FABP6 P51161 1/20 0.38

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
SCHEMBL17005957 0.91 VEGFA (0.61) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL17005940 0.89 VEGFA (0.58) VEGFAEGLN1COMTALDH1A1MEN1
SCHEMBL17005942 0.89 VEGFA (0.53) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL17005866 0.89 VEGFA (0.53) VEGFAEGLN1COMTALDH1A1MEN1
SCHEMBL28573781 0.86 VEGFA (0.68) VEGFAEGLN1COMTALDH1A1MEN1
SCHEMBL17005919 0.83 VEGFA (0.59) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL17005943 0.83 VEGFA (0.56) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL17005960 0.83 VEGFA (0.56) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL17005884 0.83 VEGFA (0.53) VEGFAEGLN1COMTALDH1A1MEN1
SCHEMBL17005845 0.83 VEGFA (0.56) VEGFAEGLN1ALDH1A1MEN1KMT2A

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 5 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
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 102/4885COMT 798/4885

“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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