SCHEMBL4352816

SCHEMBL4352816

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.64
KMT2A Q03164 4/20 0.60
CYP2C9 P11712 2/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.56
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 3/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL4358157 0.80 HPGD (0.53) HPGDKMT2AMEN1
SCHEMBL4358155 0.80 HPGD (0.53) HPGDKMT2AMEN1
SCHEMBL4347281 0.79 HPGD (0.52) HPGDKMT2AMEN1
SCHEMBL4347279 0.79 HPGD (0.52) HPGDKMT2AMEN1
SCHEMBL24495513 0.78 DAO (0.72) HPGDKMT2AMEN1
SCHEMBL3996660 0.78 HPGD (1.00) HPGD
SCHEMBL11711890 0.78 KMT2A (0.67) KMT2ACYP2C9MAPTHTTCYP1A2
SCHEMBL7821405 0.77 HPGD (0.69) HPGDKMT2AMEN1
SCHEMBL23934839 0.76 HPGD (0.63) HPGDKMT2AMEN1
SCHEMBL4172709 0.75 HPGD (0.67) HPGDKMT2ACYP1A2MEN1

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 16 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-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-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
CN-101151254-A Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase UNIV GEORGIA (US) 2008-03-26 CN 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
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
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
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-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-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 2160/4885KMT2A 1589/4885CYP2C9 1811/4885
US-20070259823-A1 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase DCK, DTYMK, DUT HPGD 1682/4885KMT2A 1467/4885CYP2C9 3675/4885
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 566/4885KMT2A 1367/4885CYP2C9 3214/4885

“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.