SCHEMBL5125073

SCHEMBL5125073

O=C(NCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])s2)nc(O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
HPGD P15428 1/20 0.44
CDK2 P24941 2/20 0.44
ATG4B Q9Y4P1 2/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
HIPK4 Q8NE63 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
ACKR3 P25106 1/20 0.42
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5115107 0.84 HPGD (0.46) L3MBTL1ALDH1A1POLBHPGDMEN1
SCHEMBL5128635 0.84 MAOA (0.44) L3MBTL1ALDH1A1POLBHPGDCDK2
SCHEMBL5119591 0.83 WDR5 (0.38) L3MBTL1ALDH1A1POLBHPGDMEN1
SCHEMBL5139628 0.78 LMNA (0.63) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL6649262 0.77 ALDH1A1 (0.41) L3MBTL1ALDH1A1POLBGSK3AGSK3B
SCHEMBL5113680 0.77 ALDH1A1 (0.56) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL5113449 0.77 HPGDS (0.56) CDK2GSK3AGSK3BDYRK1ACLK4
SCHEMBL5124623 0.74 ACKR3 (0.48) ALDH1A1POLBHPGDKMT2AMAPT
SCHEMBL5125680 0.73 CDC7 (0.46) L3MBTL1ALDH1A1HPGDCDK2GSK3A
SCHEMBL5121298 0.73 KDM4E (0.51) ALDH1A1HPGDCDK2KMT2ACDC7

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 8 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-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
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 L3MBTL1 1145/4885ALDH1A1 1079/4885POLB 101/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP L3MBTL1 1213/4885ALDH1A1 1116/4885POLB 112/4885

“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.