SCHEMBL5348283

SCHEMBL5348283

Nc1ccc(Oc2ccc([N+](=O)[O-])c(N)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.65
TSHR P16473 3/20 0.65
ALDH1A1 P00352 9/20 0.59
MAPT P10636 5/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
PDE7A Q13946 3/20 0.55
CYP3A4 P08684 4/20 0.50
ALOX15 P16050 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MITF O75030 1/20 0.48
GAA P10253 1/20 0.48
GFER P55789 1/20 0.48
NLRP1 Q9C000 1/20 0.48
NOD2 Q9HC29 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR4A1 P22736 1/20 0.44

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
SCHEMBL9195043 0.93 MAPT (0.67) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL30060469 0.88 MAPT (0.58) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL7807114 0.88 MAPT (0.58) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL11012447 0.87 MAPT (0.60) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL11015121 0.87 MAPT (0.56) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL5955457 0.87 ALDH1A1 (0.60) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL11715342 0.87 MAPT (0.56) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL1373865 0.87 HSPB1 (0.57) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL11655847 0.87 MAPT (0.56) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL17508306 0.85 ALDH1A1 (0.68) TDP1TSHRALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 EP disclosed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 TDP1 2042/4885TSHR 4205/4885ALDH1A1 955/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 TDP1 2042/4885TSHR 4205/4885ALDH1A1 955/4885

“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.