SCHEMBL17005902

SCHEMBL17005902

Cc1ccc(C)c(Cn2ccc(CN3CCN(C(=O)O)CC3)c(O)c2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 4/20 0.53
▸ EGLN1 Q9GZT9 4/20 0.53
▸ COMT P21964 1/20 0.44
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ HTT P42858 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
SCHEMBL17005884 0.91 VEGFA (0.53) VEGFAEGLN1COMTGRIN2BALDH1A1
SCHEMBL17005844 0.89 VEGFA (0.53) VEGFAEGLN1COMTDRD2DRD4
SCHEMBL17005838 0.89 ALDH1A1 (0.54) VEGFAEGLN1ALDH1A1LMNAMEN1
SCHEMBL17005957 0.87 VEGFA (0.61) VEGFAEGLN1ALDH1A1LMNAMEN1
SCHEMBL28572933 0.86 VEGFA (0.68) VEGFAEGLN1COMTDRD2DRD4
SCHEMBL17005850 0.86 VEGFA (0.60) VEGFAEGLN1ALDH1A1LMNAMEN1
SCHEMBL17005959 0.85 VEGFA (0.66) VEGFAEGLN1ALDH1A1LMNAMEN1
SCHEMBL17005890 0.84 VEGFA (0.61) VEGFAEGLN1GRIN2BALDH1A1LMNA
SCHEMBL17005874 0.84 VEGFA (0.64) VEGFAEGLN1ALDH1A1LMNAMEN1
SCHEMBL17005847 0.83 VEGFA (0.56) VEGFAEGLN1COMTALDH1A1LMNA

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 102/4885COMT 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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