SCHEMBL5118745

SCHEMBL5118745

Cc1ccc(CNC(=O)c2nc(-c3ccc(CN4CCOCC4)cc3)nc(O)c2O)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ERCC1 P07992 1/20 0.49
FEN1 P39748 1/20 0.49
ERCC4 Q92889 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPK14 Q16539 1/20 0.48
TSHR P16473 1/20 0.48
KLKB1 P03952 1/20 0.47
MLLT1 Q03111 1/20 0.46
HSP90AA1 P07900 4/20 0.45
HSP90AB1 P08238 3/20 0.45
PIK3CD O00329 1/20 0.44
ADORA2A P29274 1/20 0.44
PDK1 Q15118 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 2/20 0.43
EPAS1 Q99814 2/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5123725 0.94 HDAC4 (0.49) HDAC4HDAC6ERCC1FEN1ERCC4
SCHEMBL5129298 0.93 KLKB1 (0.45) HDAC4HDAC6KLKB1MLLT1HSP90AA1
SCHEMBL5122020 0.92 HSP90AA1 (0.44) HDAC6KLKB1MLLT1HSP90AA1HSP90AB1
SCHEMBL5114965 0.91 KMT2A (0.46) HDAC6MAPK14HSP90AA1HSP90AB1KMT2A
SCHEMBL5129782 0.88 HSP90AA1 (0.46) HDAC4HDAC6ERCC1FEN1ERCC4
SCHEMBL5255197 0.87 HSP90AA1 (0.47) ALDH1A1KLKB1MLLT1HSP90AA1HSP90AB1
SCHEMBL5128644 0.86 HSP90AA1 (0.47) HDAC6MAPK14HSP90AA1HSP90AB1KMT2A
SCHEMBL5122314 0.86 HDAC4 (0.56) HDAC4HDAC6ERCC1FEN1ERCC4
SCHEMBL5129405 0.81 TP53 (0.53) POLB
SCHEMBL5119851 0.81 NR1H4 (0.43) HDAC6ERCC1FEN1ERCC4MLLT1

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 HDAC4 453/4885HDAC6 2740/4885ERCC1 1543/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP HDAC4 364/4885HDAC6 2561/4885ERCC1 1789/4885

“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.