SCHEMBL5248385

SCHEMBL5248385

O=C(NCc1ccc(Cl)cc1)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
PLEC Q15149 1/20 0.58
ERCC1 P07992 1/20 0.53
FEN1 P39748 1/20 0.53
ERCC4 Q92889 1/20 0.53
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
HPGDS O60760 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PTGER4 P35408 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44

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
SCHEMBL5121107 0.90 KMT2A (0.49) KMT2AMEN1PLECERCC1FEN1
SCHEMBL5128689 0.90 HPGDS (0.59) KMT2AMEN1PLECERCC1FEN1
SCHEMBL5139628 0.90 LMNA (0.63) KMT2AMEN1ERCC1FEN1ERCC4
SCHEMBL5117933 0.89 ERCC1 (0.66) KMT2AMEN1PLECERCC1FEN1
SCHEMBL5117652 0.89 ERCC1 (0.53) KMT2AMEN1PLECERCC1FEN1
SCHEMBL5129249 0.89 ERCC1 (0.53) KMT2AMEN1ERCC1FEN1ERCC4
SCHEMBL5129513 0.89 KMT2A (0.64) KMT2AERCC1FEN1ERCC4SMN1; SMN2
SCHEMBL5251985 0.88 NPC1 (0.55) KMT2AMEN1PLECERCC1FEN1
SCHEMBL5129453 0.88 ERCC1 (0.48) KMT2AMEN1PLECERCC1FEN1
SCHEMBL5119218 0.88 ERCC1 (0.50) KMT2AMEN1PLECERCC1FEN1

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 9 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-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
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 KMT2A 914/4885MEN1 4445/4885PLEC 4865/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP KMT2A 760/4885MEN1 4519/4885PLEC 4865/4885

“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.