SCHEMBL5127980

SCHEMBL5127980

O=C(NCc1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 3/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
ALOX12 P18054 1/20 0.51
RECQL P46063 1/20 0.51
SMO Q99835 1/20 0.48
PTGER4 P35408 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
ERCC1 P07992 2/20 0.47
ERCC4 Q92889 2/20 0.47
FEN1 P39748 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL5127445 0.93 NPC1 (0.53) CXCR4L3MBTL1LMNAKMT2AALDH1A1
SCHEMBL5113659 0.90 L3MBTL1 (0.68) CXCR4L3MBTL1LMNAERCC1ERCC4
SCHEMBL5113675 0.87 ERCC1 (0.48) CXCR4LMNAKMT2AALDH1A1PTGER4
SCHEMBL5129033 0.87 ALDH1A1 (0.50) L3MBTL1LMNAKMT2AALDH1A1PTGER4
SCHEMBL5117167 0.86 LMNA (0.49) L3MBTL1LMNAKMT2AALDH1A1PTGER4
SCHEMBL5127309 0.86 ERCC1 (0.46) L3MBTL1LMNAKMT2AALDH1A1ERCC1
SCHEMBL5118062 0.85 LMNA (0.48) L3MBTL1LMNAKMT2AALDH1A1PTGER4
SCHEMBL5128988 0.84 LMNA (0.53) L3MBTL1LMNAKMT2AALDH1A1PTGER4
SCHEMBL14609911 0.84 ERCC1 (0.48) L3MBTL1LMNAKMT2AALDH1A1CYP1A2
SCHEMBL5128003 0.83 ALDH1A1 (0.50) L3MBTL1LMNAKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP disclosed
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-04-07 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 (2 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-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP CXCR4 681/4885L3MBTL1 1145/4885LMNA 4057/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP CXCR4 613/4885L3MBTL1 1213/4885LMNA 4198/4885

“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.