SCHEMBL17005961

SCHEMBL17005961

COc1cccc(Cn2ccc(CN3CCN(C(=O)O)CC3)c(O)c2=O)c1OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.54
▸ ALDH1A1 P00352 6/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ VEGFA P15692 3/20 0.52
▸ EGLN1 Q9GZT9 3/20 0.52
▸ HTT P42858 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL17005870 0.91 ALDH1A1 (0.52) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17005932 0.91 VEGFA (0.58) KDM4EALDH1A1MEN1KMT2AVEGFA
SCHEMBL17005853 0.89 ALDH1A1 (0.51) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17005930 0.89 VEGFA (0.55) KDM4EALDH1A1MEN1KMT2AVEGFA
SCHEMBL28566297 0.88 VEGFA (0.65) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17005933 0.82 ALDH1A1 (0.57) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17005925 0.82 NPC1 (0.58) KDM4EALDH1A1MEN1KMT2AVEGFA
SCHEMBL17005927 0.82 CYP2D6 (0.60) KDM4EALDH1A1MEN1KMT2AVEGFA
SCHEMBL17005847 0.81 VEGFA (0.56) KDM4EALDH1A1MEN1KMT2AVEGFA
SCHEMBL17005957 0.81 VEGFA (0.61) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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 KDM4E 195/4885ALDH1A1 1501/4885MEN1 1200/4885

“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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