SCHEMBL17005933

SCHEMBL17005933

COc1ccc(Cn2ccc(CN3CCN(C(=O)O)CC3)c(O)c2=O)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ POLB P06746 3/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ EGLN1 Q9GZT9 4/20 0.49
▸ VEGFA P15692 2/20 0.49
▸ NPC1 O15118 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
SCHEMBL17005925 0.92 NPC1 (0.58) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL17005898 0.91 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL17005893 0.89 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL17028824 0.89 MEN1 (0.51) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL28913770 0.88 EGLN1 (0.65) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL17005932 0.87 VEGFA (0.58) ALDH1A1KDM4EMEN1KMT2AEGLN1
SCHEMBL17005973 0.85 VEGFA (0.62) ALDH1A1MEN1KMT2APOLBEGLN1
SCHEMBL17005892 0.85 VEGFA (0.58) ALDH1A1KDM4ETDP1GAAMEN1
SCHEMBL17005917 0.84 VEGFA (0.60) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL17005913 0.83 NPC1 (0.54) ALDH1A1KDM4EMEN1KMT2AEGLN1

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 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.

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