SCHEMBL4347281

SCHEMBL4347281

COC(=O)C(O)=CC(=O)c1cn(Cc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDE7A Q13946 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
APP P05067 1/20 0.40
SNCA P37840 1/20 0.40

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
SCHEMBL4347279 1.00 HPGD (0.52) HPGDMEN1KMT2APDE7AKDM4E
SCHEMBL4358155 0.88 HPGD (0.53) HPGDMEN1KMT2A
SCHEMBL4358157 0.88 HPGD (0.53) HPGDMEN1KMT2A
SCHEMBL4350013 0.83 L3MBTL1 (0.56) MEN1KMT2AKDM4EAPPSNCA
SCHEMBL4350016 0.83 L3MBTL1 (0.56) MEN1KMT2AKDM4EAPPSNCA
SCHEMBL4352816 0.79 HPGD (0.64) HPGDMEN1KMT2A
SCHEMBL4355722 0.78 L3MBTL1 (0.67) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL4355718 0.78 L3MBTL1 (0.67) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL1191859 0.77 BRD4 (0.49) ALDH1A1
SCHEMBL12876605 0.77 BRD4 (0.49) ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569573-B2 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2009-08-04 US disclosed
US-20070259823-A1 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC (US) 2007-11-08 US disclosed
EP-1848697-A2 DIKETO ACIDS WITH NUCLEOBASE SCAFFOLDS: ANTI-HIV REPLICATION INHIBITORS TARGETED AT HIV INTEGRASE THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-10-31 EP disclosed
WO-2007106450-A2 DIKETO ACIDS WITH NUCLEOBASE SCAFFOLDS: ANTI-HIV REPLICATION INHIBITORS TARGETED AT HIV INTEGRASE IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-09-20 WO disclosed
US-7250421-B2 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-07-31 US disclosed
US-20060223834-A1 Diketo acids on nucleobase scaffolds as inhibitors of Flaviviridae UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2006-10-05 US disclosed
WO-2006083553-A2 DIKETO ACIDS WITH NUCLEOBASE SCAFFOLDS: ANTI-HIV REPLICATION INHIBITORS TARGETED AT HIV INTEGRASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2006-08-10 WO disclosed
US-20060172973-A1 Nucleobase substituted with a 2-hydroxy-4-oxobut-2-enoic acid or ester or a 1-hydroxy-3-oxopropenephosphonic acid or ester, e.g., Methyl 4-(1,3-dibenzyl-1,2,3,4-tetrahydro-2,4-dioxopyrimidin-5-yl)-2-hydroxy-4-oxobut-2-enoate UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2006-08-03 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 (3 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-20060223834-A1 Diketo acids on nucleobase scaffolds as inhibitors of Flaviviridae EIF2AK2, DCK, RNGTT HPGD 2160/4885MEN1 4839/4885KMT2A 1589/4885
US-20070259823-A1 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase DCK, DTYMK, DUT HPGD 1682/4885MEN1 4619/4885KMT2A 1467/4885
US-20060172973-A1 Nucleobase substituted with a 2-hydroxy-4-oxobut-2-enoic acid or ester or a 1-hydroxy-3-oxopropenephosphonic acid or ester, e.g., Methyl 4-(1,3-dibenzyl-1,2,3,4-tetrahydro-2,4-dioxopyrimidin-5-yl)-2-hydroxy-4-oxobut-2-enoate DUT, DERA, DCK HPGD 566/4885MEN1 4693/4885KMT2A 1367/4885

“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.