SCHEMBL5115088

SCHEMBL5115088

COc1ccc(Cc2nc(O)c(O)c(C(=O)NCc3ccccc3)n2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
NR1H4 Q96RI1 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 1/20 0.51
NOD2 Q9HC29 1/20 0.50
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
APEX1 P27695 1/20 0.47
TP53 P04637 1/20 0.46
GLA P06280 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
SCHEMBL5116079 0.91 KMT2A (0.56) ALDH1A1NR1H4SMN1; SMN2KMT2AMEN1
SCHEMBL5127979 0.86 CFTR (0.50) ALDH1A1KMT2AMEN1L3MBTL1HPGD
SCHEMBL5116129 0.85 MAOB (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL5117274 0.85 LMNA (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL5116609 0.85 PKM (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL5127890 0.84 EGLN1 (0.52) ALDH1A1SMN1; SMN2KMT2AHPGDLMNA
SCHEMBL5129033 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AL3MBTL1HPGD
SCHEMBL5121411 0.80 HPGD (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL5119931 0.80 KDM4E (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL5114380 0.78 EGLN1 (0.47) EGLN1

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 ALDH1A1 1079/4885NR1H4 3138/4885SMN1; SMN2 4143/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP ALDH1A1 1116/4885NR1H4 3154/4885SMN1; SMN2 4190/4885

“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.