SCHEMBL4464871

SCHEMBL4464871

O=[N+]([O-])c1ccc(Oc2cccc(F)c2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.41
HSPB1 P04792 7/20 0.40
MAPT P10636 6/20 0.40
PIN1 Q13526 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TRPA1 O75762 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PPARG P37231 1/20 0.36
PYGL P06737 1/20 0.36
PYGM P11217 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
SCHEMBL4480985 0.89 MAPT (0.50) HSPB1MAPTPIN1ALDH1A1GAA
SCHEMBL6451636 0.87 HSPB1 (0.40) HSPB1MAPTALDH1A1GAALMNA
SCHEMBL6455590 0.84 PIN1 (0.42) HSPB1MAPTPIN1ALDH1A1GAA
SCHEMBL27637132 0.82 MAPT (0.50) HSPB1MAPTPIN1ALDH1A1GAA
SCHEMBL29569131 0.81 HSPB1 (0.63) HSPB1MAPTALDH1A1GAATRPA1
SCHEMBL4471402 0.81 HSPB1 (0.49) HSPB1MAPTPIN1ALDH1A1GAA
SCHEMBL27617961 0.79 HSPB1 (0.59) HSPB1MAPTALDH1A1GAALMNA
SCHEMBL4460183 0.79 HSPB1 (0.59) HSPB1MAPTALDH1A1GAALMNA
SCHEMBL13860387 0.78 HSPB1 (0.63) HSPB1MAPTALDH1A1LMNAHTT
SCHEMBL21384004 0.77 HPGD (0.53) MAPTPIN1ALDH1A1SMN1; SMN2LMNA

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-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
US-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
US-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
EP-1534276-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2008-11-05 EP disclosed
EP-1534276-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2008-11-05 EP disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 US disclosed
EP-1534276-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-06-01 EP disclosed
WO-2004021969-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-03-18 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-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E EGLN1 2843/4885HSPB1 3409/4885MAPT 4367/4885

“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.