SCHEMBL5116015

SCHEMBL5116015

O=C(NCc1nc(O)c(O)c(C(=O)NCc2ccccc2)n1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.51
TNKS O95271 2/20 0.47
TNKS2 Q9H2K2 2/20 0.47
NAMPT P43490 1/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC3 O15379 2/20 0.47
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNA5 P22460 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNA3 P22001 1/20 0.42
HTT P42858 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL5114312 0.94 PLAU (0.48) PLAUTNKSTNKS2NAMPTHDAC1
SCHEMBL5118062 0.94 LMNA (0.48) PLAUTNKSTNKS2NAMPTHDAC1
SCHEMBL5127796 0.90 KCNA5 (0.45) PLAUTNKSTNKS2KCNA5KCNK3
SCHEMBL5117323 0.88 SMN1; SMN2 (0.50) LMNASMN1; SMN2HTT
SCHEMBL5114015 0.87 ALDH1A1 (0.53) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL5253711 0.87 NPC1 (0.47) HDAC1LMNAKCNA5MEN1KMT2A
SCHEMBL5129745 0.86 SMN1; SMN2 (0.43) PLAUTNKSTNKS2NAMPTSMN1; SMN2
SCHEMBL5120965 0.86 CNR1 (0.46) KCNA5KCNK3KCNA3
SCHEMBL5114801 0.85 LMNA (0.47) PLAUNAMPTLMNASMN1; SMN2KMT2A
SCHEMBL5130612 0.85 KCNA5 (0.47) KCNA5MEN1KMT2AKCNK3KCNA3

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 PLAU 3948/4885TNKS 420/4885TNKS2 572/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP PLAU 3913/4885TNKS 430/4885TNKS2 548/4885

“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.