SCHEMBL17005871

SCHEMBL17005871

O=C(O)N1CCN(Cc2ccn(Cc3cc(Br)ccc3Br)c(=O)c2O)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 4/20 0.54
▸ EGLN1 Q9GZT9 4/20 0.54
▸ FAAH O00519 3/20 0.45
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ TSHR P16473 2/20 0.40
▸ GFER P55789 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TP53 P04637 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
SCHEMBL17005920 0.92 VEGFA (0.53) VEGFAEGLN1FAAHKDM4EALDH1A1
SCHEMBL17005909 0.88 VEGFA (0.61) VEGFAEGLN1FAAHKDM4EALDH1A1
SCHEMBL17005852 0.87 VEGFA (0.53) VEGFAEGLN1FAAHKDM4EALDH1A1
SCHEMBL17005860 0.86 VEGFA (0.52) VEGFAEGLN1KDM4EALDH1A1LMNA
SCHEMBL17005946 0.86 VEGFA (0.66) VEGFAEGLN1FAAHKDM4EALDH1A1
SCHEMBL17005881 0.86 VEGFA (0.59) VEGFAEGLN1FAAH
SCHEMBL17005935 0.85 VEGFA (0.61) VEGFAEGLN1FAAHKDM4EALDH1A1
SCHEMBL17005836 0.85 VEGFA (0.64) VEGFAEGLN1FAAHKDM4EALDH1A1
SCHEMBL28562492 0.85 VEGFA (0.68) VEGFAEGLN1FAAHKDM4EALDH1A1
SCHEMBL17005943 0.83 VEGFA (0.56) VEGFAEGLN1FAAHKDM4EALDH1A1

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 102/4885FAAH 2314/4885

“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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