SCHEMBL17005984

SCHEMBL17005984

O=C(O)N1CCN(Cc2ccn(Cc3c(Cl)cccc3Cl)c(=O)c2O)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 6/20 0.61
▸ EGLN1 Q9GZT9 6/20 0.61
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.42
▸ HPGD P15428 3/20 0.42
▸ PKM P14618 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ FAAH O00519 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ CRHBP P24387 1/20 0.41

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
SCHEMBL17005919 0.89 VEGFA (0.59) VEGFAEGLN1MEN1KMT2ARAB9A
SCHEMBL1771037 0.89 VEGFA (0.65) VEGFAEGLN1MEN1KMT2ARAB9A
SCHEMBL17005928 0.87 VEGFA (0.59) VEGFAEGLN1MEN1KMT2ANPC1
SCHEMBL17005915 0.86 VEGFA (0.58) VEGFAEGLN1MEN1KMT2AALDH1A1
SCHEMBL17005940 0.86 VEGFA (0.58) VEGFAEGLN1MEN1KMT2AALDH1A1
SCHEMBL17005976 0.86 VEGFA (0.58) VEGFAEGLN1MEN1KMT2ANPC1
SCHEMBL17005968 0.86 VEGFA (0.58) VEGFAEGLN1MEN1KMT2ARAB9A
SCHEMBL17005843 0.86 ALDH1A1 (0.60) VEGFAEGLN1MEN1KMT2ANPC1
SCHEMBL20763926 0.86 VEGFA (0.83) VEGFAEGLN1MEN1KMT2AALDH1A1
SCHEMBL28563641 0.84 VEGFA (0.75) VEGFAEGLN1MEN1KMT2ANPC1

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 102/4885MEN1 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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