SCHEMBL17005925

SCHEMBL17005925

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.58
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 6/20 0.52
▸ RECQL P46063 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ VEGFA P15692 2/20 0.49
▸ EGLN1 Q9GZT9 2/20 0.49
▸ POLB P06746 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
SCHEMBL17005933 0.92 ALDH1A1 (0.57) NPC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL17005913 0.91 NPC1 (0.54) NPC1MEN1KMT2AKDM4ERECQL
SCHEMBL17005923 0.89 NPC1 (0.52) NPC1MEN1KMT2AKDM4ERECQL
SCHEMBL28576610 0.88 VEGFA (0.65) NPC1MEN1KMT2AKDM4ERECQL
SCHEMBL17005932 0.87 VEGFA (0.58) MEN1KMT2AKDM4EALDH1A1VEGFA
SCHEMBL17005973 0.85 VEGFA (0.62) MEN1KMT2AALDH1A1LMNAVEGFA
SCHEMBL17005956 0.85 VEGFA (0.56) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL17005892 0.85 VEGFA (0.58) NPC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL17005917 0.84 VEGFA (0.60) MEN1KMT2AKDM4ERECQLALDH1A1
SCHEMBL17005898 0.83 ALDH1A1 (0.53) MEN1KMT2AKDM4EALDH1A1VEGFA

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 NPC1 2730/4885MEN1 1200/4885KMT2A 800/4885

“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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