SCHEMBL5767151

SCHEMBL5767151

COC(=O)c1ncc(C)nc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 6/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 2/20 0.36
ATM Q13315 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5767143 0.91 NPSR1 (0.58) NPSR1KDM4EMAPK1L3MBTL1S1PR4
SCHEMBL29432473 0.85 ALDH1A1 (0.41) KDM4EMAPK1ALDH1A1MEN1KMT2A
SCHEMBL6100470 0.85 ALDH1A1 (0.41) KDM4EMAPK1ALDH1A1MEN1KMT2A
SCHEMBL27479483 0.83 ALDH1A1 (0.40) KDM4EMAPK1ALDH1A1MEN1KMT2A
SCHEMBL438294 0.81 NPSR1 (0.50) NPSR1KDM4EMAPK1L3MBTL1S1PR4
SCHEMBL30803903 0.81 NPSR1 (0.50) NPSR1KDM4EMAPK1L3MBTL1S1PR4
SCHEMBL262307 0.80 GRM5 (0.54) NPSR1KDM4EL3MBTL1S1PR4ALDH1A1
SCHEMBL13242156 0.80 NPSR1 (0.48) NPSR1KDM4EMAPK1L3MBTL1S1PR4
SCHEMBL1475724 0.79 NPSR1 (0.47) NPSR1KDM4EMAPK1L3MBTL1S1PR4
SCHEMBL13242152 0.79 NPSR1 (0.47) NPSR1KDM4EMAPK1L3MBTL1S1PR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 US disclosed
EP-1625130-A2 HIV INTEGRASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2006-02-15 EP disclosed
WO-2004096807-A2 HIV INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-11-11 WO 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 (1 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 NPSR1 259/4885KDM4E 4133/4885MAPK1 1746/4885

“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.