SCHEMBL2881452

SCHEMBL2881452

O=[N+]([O-])c1cccc(Cl)c1Oc1cc(Cl)cc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
APEX1 P27695 1/20 0.44
HPGD P15428 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
TERT O14746 1/20 0.39
HSPB1 P04792 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPAS1 Q99814 1/20 0.36
CYP19A1 P11511 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
SCHEMBL4556511 0.96 MAPT (0.49) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL3031375 0.80 EPAS1 (0.40) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL9818964 0.80 MAPT (0.67) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL2511485 0.79 EPAS1 (0.34) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL2326248 0.78 MAPT (0.64) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL2878659 0.77 ALDH1A1 (0.47) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL3028132 0.77 EPAS1 (0.38) MAPTPOLBALDH1A1SMN1; SMN2HSPB1
SCHEMBL7168591 0.77 MAPT (0.67) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL2943368 0.76 MEN1 (0.38) MAPTALDH1A1SMN1; SMN2HPGDTERT
SCHEMBL10824965 0.75 MAPT (0.57) MAPTPOLBALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121638-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-25 EP disclosed
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ANTHONY NEVILLE J 2010-11-11 US disclosed
US-7781454-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
EP-2121638-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME LLC 2008-11-06 US disclosed
WO-2008076223-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 WO disclosed
WO-2008076225-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 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 (2 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-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors RNGTT, RRM2B, RRM2 MAPT 2210/4885POLB 15/4885ALDH1A1 2863/4885
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RNGTT, RRM2B, RRM2 MAPT 2210/4885POLB 15/4885ALDH1A1 2863/4885

“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.