SCHEMBL5129249

SCHEMBL5129249

Cc1ccc(CNC(=O)c2nc(-c3cccs3)nc(O)c2O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.53
FEN1 P39748 1/20 0.53
ERCC4 Q92889 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 3/20 0.52
LMNA P02545 2/20 0.51
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGDS O60760 1/20 0.47

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
SCHEMBL5128689 0.90 HPGDS (0.59) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5139628 0.90 LMNA (0.63) ERCC1FEN1ERCC4SMN1; SMN2HPGD
SCHEMBL5117652 0.89 ERCC1 (0.53) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5117933 0.89 ERCC1 (0.66) ERCC1FEN1ERCC4SMN1; SMN2HPGD
SCHEMBL5248385 0.89 KMT2A (0.58) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5129513 0.89 KMT2A (0.64) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5123275 0.88 SMN1; SMN2 (0.60) ERCC1FEN1ERCC4SMN1; SMN2HPGD
SCHEMBL5129193 0.88 SMN1; SMN2 (0.51) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5115308 0.88 LMNA (0.48) ERCC1FEN1ERCC4SMN1; SMN2HPGD
SCHEMBL5122148 0.88 ERCC1 (0.48) ERCC1FEN1ERCC4SMN1; SMN2LMNA

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 ERCC1 1543/4885FEN1 443/4885ERCC4 435/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP ERCC1 1789/4885FEN1 582/4885ERCC4 481/4885

“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.