SCHEMBL5117894

SCHEMBL5117894

O=C(NCc1ccc(Cc2c[nH]c3ccccc23)cc1)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.49
FEN1 P39748 1/20 0.49
ERCC4 Q92889 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
GPR84 Q9NQS5 3/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.41
HPGDS O60760 1/20 0.40
SNCA P37840 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL5114680 0.92 SMN1; SMN2 (0.46) ERCC1FEN1ERCC4SMN1; SMN2GAA
SCHEMBL5115087 0.92 SMN1; SMN2 (0.53) ERCC1FEN1ERCC4SMN1; SMN2GAA
SCHEMBL5117291 0.91 SMN1; SMN2 (0.48) ERCC1FEN1ERCC4SMN1; SMN2GAA
SCHEMBL5122803 0.86 SIRT1 (0.55) KMT2AHTTNPC1RAB9AMEN1
SCHEMBL5254746 0.85 SMN1; SMN2 (0.45) ERCC1FEN1ERCC4SMN1; SMN2GAA
SCHEMBL5139628 0.82 LMNA (0.63) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL14012869 0.82 HTT (0.42) SMN1; SMN2GAAGPR84KMT2AHTT
SCHEMBL5125403 0.82 SMN1; SMN2 (0.43) ERCC1FEN1ERCC4SMN1; SMN2GAA
SCHEMBL5128689 0.81 HPGDS (0.59) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5129249 0.80 ERCC1 (0.53) ERCC1FEN1ERCC4SMN1; SMN2GAA

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 8 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
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.