SCHEMBL4480985

SCHEMBL4480985

O=[N+]([O-])c1ccc(Oc2ccccc2F)cn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
PIN1 Q13526 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
HSPB1 P04792 7/20 0.46
PARP10 Q53GL7 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL27637132 0.92 MAPT (0.50) MAPTPIN1SMN1; SMN2HSPB1PARP10
SCHEMBL4464871 0.89 EGLN1 (0.41) MAPTPIN1SMN1; SMN2HSPB1ALDH1A1
SCHEMBL29569131 0.86 HSPB1 (0.63) MAPTHSPB1ALDH1A1GAALMNA
SCHEMBL4471402 0.86 HSPB1 (0.49) MAPTPIN1HSPB1ALDH1A1GAA
SCHEMBL21384004 0.82 HPGD (0.53) MAPTPIN1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4460183 0.81 HSPB1 (0.59) MAPTHSPB1ALDH1A1GAAMEN1
SCHEMBL27617961 0.81 HSPB1 (0.59) MAPTHSPB1ALDH1A1GAAMEN1
SCHEMBL6451636 0.81 HSPB1 (0.40) MAPTHSPB1ALDH1A1GAALMNA
SCHEMBL2659166 0.80 PIN1 (0.47) MAPTPIN1ALDH1A1LMNAHTT
SCHEMBL29806360 0.80 PIN1 (0.47) MAPTPIN1ALDH1A1LMNAHTT

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
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 US disclosed
CN-1694700-A Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-11-09 CN 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 MAPT 4367/4885PIN1 3328/4885SMN1; SMN2 2895/4885

“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.