SCHEMBL4471402

SCHEMBL4471402

O=[N+]([O-])c1ccc(Oc2cc(F)ccc2F)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 7/20 0.49
MAPT P10636 5/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PIN1 Q13526 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
P2RX3 P56373 1/20 0.36
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL29569131 0.89 HSPB1 (0.63) HSPB1MAPTALDH1A1GAALMNA
SCHEMBL4480985 0.86 MAPT (0.50) HSPB1MAPTALDH1A1GAAMEN1
SCHEMBL14226068 0.84 EPAS1 (0.42) HSPB1MAPTALDH1A1GAALMNA
SCHEMBL4460183 0.82 HSPB1 (0.59) HSPB1MAPTALDH1A1GAAMEN1
SCHEMBL27617961 0.82 HSPB1 (0.59) HSPB1MAPTALDH1A1GAAMEN1
SCHEMBL6451636 0.82 HSPB1 (0.40) HSPB1MAPTALDH1A1GAALMNA
SCHEMBL4482807 0.81 SOS1 (0.45) HSPB1MAPTALDH1A1GAALMNA
SCHEMBL29860840 0.81 SOS1 (0.45) HSPB1MAPTALDH1A1GAALMNA
SCHEMBL4464871 0.81 EGLN1 (0.41) HSPB1MAPTALDH1A1GAALMNA
SCHEMBL1956277 0.80 FFAR4 (0.44) HSPB1MAPTALDH1A1GAAMEN1

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 HSPB1 3409/4885MAPT 4367/4885ALDH1A1 2705/4885

“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.