SCHEMBL5127717

SCHEMBL5127717

O=C(NC(Cc1ccccc1)c1ccccc1)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
TACR3 P29371 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
FTO Q9C0B1 2/20 0.41
PTPRB P23467 1/20 0.41
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 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
SCHEMBL5122589 0.89 ROCK2 (0.46) SMN1; SMN2LMNATACR3NPC1RAB9A
SCHEMBL5118447 0.89 ROCK2 (0.46) SMN1; SMN2LMNATACR3NPC1RAB9A
SCHEMBL5121523 0.88 TACR3 (0.52) LMNATACR3ALDH1A1ERCC1FEN1
SCHEMBL5120658 0.85 ROCK2 (0.48) HPGDSSMN1; SMN2LMNANPC1RAB9A
SCHEMBL5121239 0.83 MEN1 (0.57) HPGDSLMNANPC1ALDH1A1HTT
SCHEMBL5119546 0.83 MEN1 (0.57) HPGDSLMNANPC1ALDH1A1HTT
SCHEMBL5127508 0.83 MEN1 (0.57) HPGDSLMNANPC1ALDH1A1HTT
SCHEMBL5139628 0.80 LMNA (0.63) HPGDSSMN1; SMN2LMNANPC1RAB9A
SCHEMBL5128490 0.77 ERCC1 (0.47) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL5121410 0.76 ERCC1 (0.50) SMN1; SMN2LMNANPC1RAB9AALDH1A1

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 HPGDS 1069/4885SMN1; SMN2 4143/4885LMNA 4057/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP HPGDS 1123/4885SMN1; SMN2 4190/4885LMNA 4198/4885

“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.