SCHEMBL5344847

SCHEMBL5344847

Nc1ccc(Oc2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 5/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAOA P21397 2/20 0.50
GAA P10253 1/20 0.50
MAOB P27338 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 3/20 0.47
PDE7A Q13946 1/20 0.46
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL30061165 0.92 MEN1 (0.54) MEN1KMT2AMAPTRAB9AMAOA
SCHEMBL646471 0.92 MEN1 (0.54) MEN1KMT2AMAPTRAB9AMAOA
SCHEMBL7552860 0.92 MEN1 (0.53) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL27581338 0.90 MEN1 (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL12734031 0.88 MEN1 (0.50) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL11422374 0.87 CYP19A1 (0.50) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL1300529 0.86 MEN1 (0.49) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL5462629 0.86 MEN1 (0.46) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL7907625 0.85 MEN1 (0.54) MEN1KMT2AMAPTRAB9AMAOA
SCHEMBL7152494 0.84 MEN1 (0.47) MEN1KMT2AMAPTRAB9ANPC1

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
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-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 MEN1 760/4885KMT2A 165/4885MAPT 2991/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 MEN1 760/4885KMT2A 165/4885MAPT 2991/4885

“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.