SCHEMBL5129209

SCHEMBL5129209

COc1ccccc1CNC(=O)c1nc(C(OC)c2ccccc2)nc(O)c1O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HPGD P15428 6/20 0.48
ALDH1A1 P00352 6/20 0.47
NPC1 O15118 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 2/20 0.47
HDAC1 Q13547 1/20 0.46
RCE1 Q9Y256 1/20 0.45
MAOB P27338 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL5117319 0.92 MAOB (0.46) MEN1KMT2AHPGDALDH1A1NPC1
SCHEMBL5119250 0.92 MEN1 (0.47) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL5124652 0.86 GSK3B (0.45) KMT2AHPGDALDH1A1GAATP53
SCHEMBL5128937 0.84 MAOB (0.45) MEN1KMT2AHPGDALDH1A1NPC1
SCHEMBL5114517 0.84 ALDH1A1 (0.44) KMT2AHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL5121401 0.82 PTGER4 (0.42) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL5122290 0.81 MAOB (0.47) MEN1KMT2AHPGDALDH1A1NPC1
SCHEMBL5129521 0.81 SMN1; SMN2 (0.51) HPGDALDH1A1KDM4EHTTMAOB
SCHEMBL5123005 0.81 MEN1 (0.48) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL5253701 0.80 NPC1 (0.45) MEN1KMT2AHPGDALDH1A1NPC1

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 MEN1 4445/4885KMT2A 914/4885HPGD 1113/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP MEN1 4519/4885KMT2A 760/4885HPGD 1160/4885

“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.