SCHEMBL17005909

SCHEMBL17005909

O=C(O)N1CCN(Cc2ccn(Cc3ccccc3Br)c(=O)c2O)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 4/20 0.61
▸ EGLN1 Q9GZT9 4/20 0.61
▸ KDM4E B2RXH2 4/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ LMNA P02545 2/20 0.56
▸ FAAH O00519 2/20 0.53
▸ MEN1 O00255 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP2A13 Q16696 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL17005943 0.91 VEGFA (0.56) VEGFAEGLN1KDM4EALDH1A1LMNA
SCHEMBL17005968 0.89 VEGFA (0.58) VEGFAEGLN1KDM4EALDH1A1LMNA
SCHEMBL17005871 0.88 VEGFA (0.54) VEGFAEGLN1KDM4EALDH1A1LMNA
SCHEMBL17005969 0.87 VEGFA (0.54) VEGFAEGLN1KDM4EALDH1A1LMNA
SCHEMBL17005920 0.87 VEGFA (0.53) VEGFAEGLN1KDM4EALDH1A1LMNA
SCHEMBL17005957 0.86 VEGFA (0.61) VEGFAEGLN1KDM4EALDH1A1LMNA
SCHEMBL1770233 0.86 VEGFA (0.61) VEGFAEGLN1KDM4EALDH1A1LMNA
SCHEMBL17005868 0.86 VEGFA (0.61) VEGFAEGLN1KDM4EALDH1A1LMNA
SCHEMBL1771037 0.86 VEGFA (0.65) VEGFAEGLN1KDM4EALDH1A1FAAH
SCHEMBL17005936 0.86 KDM4E (0.55) VEGFAEGLN1KDM4EALDH1A1LMNA

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 102/4885KDM4E 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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