SCHEMBL17005957

SCHEMBL17005957

Cc1ccccc1Cn1ccc(CN2CCN(C(=O)O)CC2)c(O)c1=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 4/20 0.61
▸ EGLN1 Q9GZT9 4/20 0.61
▸ ALDH1A1 P00352 6/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ FABP6 P51161 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ CYP2A13 Q16696 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
SCHEMBL17005847 0.91 VEGFA (0.56) VEGFAEGLN1ALDH1A1KMT2AKDM4E
SCHEMBL17005940 0.89 VEGFA (0.58) VEGFAEGLN1ALDH1A1KMT2AKDM4E
SCHEMBL17005914 0.88 VEGFA (0.55) VEGFAEGLN1ALDH1A1KMT2AKDM4E
SCHEMBL17005891 0.88 ALDH1A1 (0.57) VEGFAEGLN1ALDH1A1KMT2AKDM4E
SCHEMBL17005902 0.87 VEGFA (0.53) VEGFAEGLN1ALDH1A1KMT2AKDM4E
SCHEMBL17005884 0.87 VEGFA (0.53) VEGFAEGLN1ALDH1A1KMT2AMEN1
SCHEMBL1770233 0.86 VEGFA (0.61) VEGFAEGLN1ALDH1A1KMT2AKDM4E
SCHEMBL1771037 0.86 VEGFA (0.65) VEGFAEGLN1ALDH1A1KMT2AKDM4E
SCHEMBL17005909 0.86 VEGFA (0.61) VEGFAEGLN1ALDH1A1KMT2AKDM4E
SCHEMBL17005868 0.86 VEGFA (0.61) VEGFAEGLN1ALDH1A1KMT2AKDM4E

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 3 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
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
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 102/4885ALDH1A1 1501/4885

“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.

Send feedback