SCHEMBL4482807

SCHEMBL4482807

O=[N+]([O-])c1ccc(Oc2ccc(F)c(F)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.45
MAPT P10636 5/20 0.41
HSPB1 P04792 4/20 0.39
TRPA1 O75762 1/20 0.39
P2RX3 P56373 1/20 0.38
MAP4K4 O95819 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PIN1 Q13526 1/20 0.34
GAA P10253 1/20 0.34
FDFT1 P37268 1/20 0.34

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
SCHEMBL29860840 1.00 SOS1 (0.45) SOS1MAPTHSPB1TRPA1P2RX3
SCHEMBL21384156 0.87 SOS1 (0.49) SOS1MAPTHSPB1P2RX3PIN1
SCHEMBL21384142 0.87 MAPT (0.39) SOS1MAPTHSPB1P2RX3ALDH1A1
SCHEMBL2028560 0.87 MAPT (0.39) SOS1MAPTHSPB1P2RX3LMNA
SCHEMBL29442820 0.87 SOS1 (0.49) SOS1MAPTHSPB1P2RX3PIN1
SCHEMBL4464354 0.84 SLC22A12 (0.49)
SCHEMBL4463358 0.83 HSPB1 (0.44) MAPTHSPB1P2RX3LMNAHTT
SCHEMBL4460183 0.83 HSPB1 (0.59) SOS1MAPTHSPB1P2RX3LMNA
SCHEMBL27617961 0.83 HSPB1 (0.59) SOS1MAPTHSPB1P2RX3LMNA
SCHEMBL4477488 0.82 MAPT (0.48) MAPTHSPB1MAP4K4LMNAHTT

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 SOS1 2159/4885MAPT 4367/4885HSPB1 3409/4885

“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.