SCHEMBL5123552

SCHEMBL5123552

O=C(NCc1cccs1)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HPGD P15428 5/20 0.53
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
ERCC1 P07992 2/20 0.47
FEN1 P39748 2/20 0.47
ERCC4 Q92889 2/20 0.47
POLB P06746 1/20 0.47
DNASE1 P24855 1/20 0.47
MAOB P27338 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
SCHEMBL5122141 0.88 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL5139628 0.88 LMNA (0.63) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL5129513 0.87 KMT2A (0.64) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL5128689 0.86 HPGDS (0.59) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL5121752 0.86 NTRK1 (0.47) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL5117652 0.85 ERCC1 (0.53) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL5129249 0.85 ERCC1 (0.53) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL5121455 0.85 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AKMT2AHPGD
SCHEMBL5117933 0.85 ERCC1 (0.66) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL5113712 0.85 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AKMT2AMEN1

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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP SMN1; SMN2 4190/4885NPC1 3019/4885RAB9A 3288/4885

“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.