SCHEMBL5127445

SCHEMBL5127445

O=C(NCCc1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CXCR4 P61073 1/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX12 P18054 1/20 0.49
RECQL P46063 1/20 0.49
POLB P06746 1/20 0.48
SMO Q99835 1/20 0.47
PTGER4 P35408 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL5127980 0.93 CXCR4 (0.53) CXCR4KDM4EL3MBTL1LMNAKMT2A
SCHEMBL5117167 0.89 LMNA (0.49) NPC1RAB9AKDM4EL3MBTL1LMNA
SCHEMBL5128988 0.87 LMNA (0.53) NPC1RAB9AKDM4EL3MBTL1LMNA
SCHEMBL5114801 0.86 LMNA (0.47) NPC1RAB9AKDM4EL3MBTL1LMNA
SCHEMBL5129033 0.85 ALDH1A1 (0.50) RAB9AKDM4EL3MBTL1LMNAKMT2A
SCHEMBL5113675 0.83 ERCC1 (0.48) NPC1RAB9ACXCR4KDM4ELMNA
SCHEMBL5113659 0.83 L3MBTL1 (0.68) CXCR4L3MBTL1LMNA
SCHEMBL14609911 0.82 ERCC1 (0.48) L3MBTL1LMNAKMT2AALDH1A1POLB
SCHEMBL2207041 0.82 LMNA (0.43) RAB9ACXCR4KDM4EL3MBTL1LMNA
SCHEMBL5129218 0.82 HPGD (0.49) L3MBTL1LMNAALDH1A1POLBSMN1; SMN2

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 NPC1 2830/4885RAB9A 3221/4885CXCR4 681/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP NPC1 3019/4885RAB9A 3288/4885CXCR4 613/4885

“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.