SCHEMBL5116609

SCHEMBL5116609

COc1ccc(Cc2nc(O)c(O)c(C(=O)NCc3ccc4c(c3)OCO4)n2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.59
HPGD P15428 2/20 0.56
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MCL1 Q07820 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL5121138 0.90 HSD17B10 (0.57) HPGDALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL5122322 0.87 NPC1 (0.56) PKMHPGDALDH1A1MAPK1KMT2A
SCHEMBL5123346 0.85 HPGD (0.52) PKMHPGDALDH1A1MAPK1KMT2A
SCHEMBL5115088 0.85 ALDH1A1 (0.51) HPGDALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL5116079 0.84 KMT2A (0.56) ALDH1A1MAPK1KMT2ASMN1; SMN2LMNA
SCHEMBL5115298 0.84 HPGD (0.57) HPGDALDH1A1MAPK1KMT2ALMNA
SCHEMBL5121411 0.84 HPGD (0.54) HPGDALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL5121569 0.83 TP53 (0.54) HPGDALDH1A1MAPK1KMT2ALMNA
SCHEMBL5122064 0.83 TP53 (0.53) HPGDALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL5128837 0.83 NPC1 (0.53) ALDH1A1KMT2ASMN1; SMN2LMNAPOLB

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 PKM 2216/4885HPGD 1113/4885ALDH1A1 1079/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP PKM 2227/4885HPGD 1160/4885ALDH1A1 1116/4885

“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.