SCHEMBL5129158

SCHEMBL5129158

O=C(NCC#Cc1ccccc1)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
ERCC1 P07992 6/20 0.42
FEN1 P39748 6/20 0.42
ERCC4 Q92889 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 1/20 0.42
DNASE1 P24855 2/20 0.41
RAB9A P51151 2/20 0.41
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
HPGDS O60760 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL5115260 0.88 MEN1 (0.42) MAOBERCC1FEN1ERCC4NPC1
SCHEMBL5117550 0.83 ERCC1 (0.46) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5139628 0.81 LMNA (0.63) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5123552 0.78 SMN1; SMN2 (0.61) MAOBERCC1FEN1ERCC4SMN1; SMN2
SCHEMBL5127033 0.78 MAOB (0.46) MAOBEGLN1
SCHEMBL5114712 0.77 POLB (0.53) MAOBERCC1FEN1ERCC4SMN1; SMN2
SCHEMBL5128298 0.77 NPC1 (0.47) SMN1; SMN2LMNANPC1KDM4ERAB9A
SCHEMBL5121410 0.77 ERCC1 (0.50) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5128689 0.77 HPGDS (0.59) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5121455 0.76 ALDH1A1 (0.50) SMN1; SMN2LMNANPC1KDM4ERAB9A

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-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 MAOB 2019/4885ERCC1 1543/4885FEN1 443/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP MAOB 1819/4885ERCC1 1789/4885FEN1 582/4885

“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.