SCHEMBL5122141

SCHEMBL5122141

O=C(NCc1cncs1)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ERCC1 P07992 4/20 0.44
▸ FEN1 P39748 4/20 0.44
▸ ERCC4 Q92889 4/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ DNASE1 P24855 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ HPGD P15428 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
SCHEMBL5123552 0.88 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL5129513 0.85 KMT2A (0.64) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL5139628 0.84 LMNA (0.63) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL5121092 0.84 LMNA (0.66) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL5121752 0.82 NTRK1 (0.47) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL5128689 0.82 HPGDS (0.59) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL5117933 0.81 ERCC1 (0.66) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL5113712 0.81 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL5117652 0.81 ERCC1 (0.53) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL5121455 0.81 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AKMT2ALMNA

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 4143/4885NPC1 2830/4885RAB9A 3221/4885
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.

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