SCHEMBL5115087

SCHEMBL5115087

O=C(NCc1c[nH]c2ccccc12)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
LMNA P02545 2/20 0.44
GPR84 Q9NQS5 1/20 0.44
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
SIRT1 Q96EB6 1/20 0.42
ECE1 P42892 1/20 0.42
GLA P06280 1/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SSTR3 P32745 1/20 0.41

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
SCHEMBL5117291 0.94 SMN1; SMN2 (0.48) SMN1; SMN2GAABCHEACHELMNA
SCHEMBL5117894 0.92 ERCC1 (0.49) SMN1; SMN2GAALMNAGPR84ERCC1
SCHEMBL5254746 0.91 SMN1; SMN2 (0.45) SMN1; SMN2GAALMNAERCC1FEN1
SCHEMBL5122803 0.90 SIRT1 (0.55) KMT2AMEN1RAB9ASIRT1GLA
SCHEMBL5114680 0.89 SMN1; SMN2 (0.46) SMN1; SMN2GAABCHEACHELMNA
SCHEMBL5125403 0.84 SMN1; SMN2 (0.43) SMN1; SMN2GAALMNAERCC1FEN1
SCHEMBL5122895 0.84 SMN1; SMN2 (0.47) SMN1; SMN2LMNAERCC1FEN1ERCC4
SCHEMBL5139628 0.82 LMNA (0.63) SMN1; SMN2LMNAERCC1FEN1ERCC4
SCHEMBL5127772 0.82 POLB (0.47) SMN1; SMN2LMNAERCC1FEN1ERCC4
SCHEMBL5252286 0.81 HPGD (0.55) SMN1; SMN2LMNAERCC1FEN1ERCC4

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 SMN1; SMN2 4143/4885GAA 1940/4885BCHE 1797/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP SMN1; SMN2 4190/4885GAA 1962/4885BCHE 1731/4885

“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.