SCHEMBL5768586

SCHEMBL5768586

O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
PKM P14618 3/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CMA1 P23946 1/20 0.57
MAPK1 P28482 3/20 0.47
SCN9A Q15858 1/20 0.47
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP3A4 P08684 3/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 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
SCHEMBL6099645 0.89 HPGD (0.60) HPGDPKMKMT2ATSHRSMN1; SMN2
SCHEMBL6101318 0.88 ALDH1A1 (0.45) HPGDPKMKMT2ATSHRSMN1; SMN2
SCHEMBL5769187 0.88 HPGD (0.56) HPGDPKMKMT2ATSHRSMN1; SMN2
SCHEMBL6098751 0.87 HPGD (0.46) HPGDPKMKMT2ATSHRSMN1; SMN2
SCHEMBL6101379 0.87 TSHR (0.51) HPGDPKMKMT2ATSHRSMN1; SMN2
SCHEMBL6101738 0.86 HPGD (0.57) HPGDPKMKMT2ATSHRSMN1; SMN2
SCHEMBL6099226 0.86 CMA1 (0.58) HPGDPKMKMT2ATSHRSMN1; SMN2
SCHEMBL6102070 0.86 HPGD (0.45) HPGDPKMKMT2ATSHRSMN1; SMN2
SCHEMBL5793999 0.85 HPGD (0.56) HPGDPKMKMT2ATSHRSMN1; SMN2
SCHEMBL6101523 0.85 HPGD (0.44) HPGDPKMKMT2ATSHRSMN1; SMN2

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 HPGD 347/4885PKM 2808/4885KMT2A 1121/4885

“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.