SCHEMBL4352820

SCHEMBL4352820

CC(=O)c1cn(Cc2ccc(C(F)(F)F)cc2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.68
POLB P06746 3/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
P2RX3 P56373 1/20 0.48
LMNA P02545 2/20 0.43
XBP1 P17861 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL4348849 0.85 L3MBTL1 (0.90) L3MBTL1POLBALDH1A1SMN1; SMN2HTT
SCHEMBL4358141 0.82 L3MBTL1 (0.85) L3MBTL1POLBSMN1; SMN2LMNAKMT2A
SCHEMBL4350473 0.81 L3MBTL1 (0.49) L3MBTL1POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4350478 0.81 L3MBTL1 (0.49) L3MBTL1POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4347286 0.81 L3MBTL1 (1.00) L3MBTL1POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4342136 0.79 L3MBTL1 (0.47) L3MBTL1POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4342133 0.79 L3MBTL1 (0.47) L3MBTL1POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4346559 0.70 L3MBTL1 (0.62) L3MBTL1POLBKDM4EALDH1A1LMNA
SCHEMBL19660075 0.69 KDM4E (0.44) L3MBTL1KDM4EALDH1A1SMN1; SMN2P2RX3
SCHEMBL5925270 0.68 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2LMNAKMT2A

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 15 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
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 L3MBTL1 2212/4885POLB 299/4885KDM4E 1261/4885
US-20070259823-A1 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase DCK, DTYMK, DUT L3MBTL1 2208/4885POLB 155/4885KDM4E 1604/4885
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 L3MBTL1 1052/4885POLB 53/4885KDM4E 637/4885

“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.