SCHEMBL4460183

SCHEMBL4460183

O=[N+]([O-])c1ccc(Oc2ccc(F)cc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.59
MAPT P10636 6/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
SOS1 Q07889 2/20 0.42
P2RX3 P56373 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
POLB P06746 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL27617961 1.00 HSPB1 (0.59) HSPB1MAPTLMNAHTTALDH1A1
SCHEMBL4463358 0.87 HSPB1 (0.44) HSPB1MAPTLMNAHTTALDH1A1
SCHEMBL29806360 0.85 PIN1 (0.47) MAPTLMNAHTTALDH1A1SOS1
SCHEMBL2659166 0.85 PIN1 (0.47) MAPTLMNAHTTALDH1A1SOS1
SCHEMBL29996298 0.83 ALDH1A1 (0.47) MAPTALDH1A1P2RX3L3MBTL1MEN1
SCHEMBL28437727 0.83 MAPT (0.48) HSPB1MAPTLMNAHTTALDH1A1
SCHEMBL28435570 0.83 MAPT (0.43) HSPB1MAPTLMNAHTTALDH1A1
SCHEMBL4477488 0.83 MAPT (0.48) HSPB1MAPTLMNAHTTALDH1A1
SCHEMBL29442845 0.83 MAPT (0.48) HSPB1MAPTLMNAHTTALDH1A1
SCHEMBL4482807 0.83 SOS1 (0.45) HSPB1MAPTLMNAHTTALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110452238-B Pyrimidinium compounds and uses thereof 东莞市东阳光农药研发有限公司 2020-08-11 CN disclosed
CN-110452238-A Pyrimidine compound and application thereof DONGGUAN DONGYANGGUANG PESTICIDE RES AND DEVELOPMENT CO LTD 2019-11-15 CN 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
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
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 HSPB1 3409/4885MAPT 4367/4885LMNA 3036/4885

“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.