SCHEMBL4334075

SCHEMBL4334075

N[N+](=O)c1ccc(Oc2ccnc(Nc3cc(Oc4ccc([N+](=O)[O-])cc4F)ccn3)c2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.47
S1PR4 O95977 1/20 0.45
TGFBR1 P36897 2/20 0.41
GCK P35557 1/20 0.40
MET P08581 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PYGL P06737 2/20 0.38
PYGM P11217 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE7A Q13946 1/20 0.38
POLB P06746 1/20 0.37
KDR P35968 1/20 0.36

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
SCHEMBL26608042 0.84 HSPB1 (0.41) HSPB1S1PR4TGFBR1GCKMET
SCHEMBL30844467 0.83 HSPB1 (0.53) HSPB1S1PR4METALDH1A1MAPT
SCHEMBL197935 0.83 HSPB1 (0.53) HSPB1S1PR4METALDH1A1MAPT
SCHEMBL26607996 0.81 HSPB1 (0.41) HSPB1S1PR4TGFBR1GCKMET
SCHEMBL29251625 0.81 GCK (0.52) HSPB1GCKMETALDH1A1MAPT
SCHEMBL3549403 0.81 ALDH1A1 (0.48) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL26608051 0.80 GAA (0.40) HSPB1S1PR4METALDH1A1MAPT
SCHEMBL26608061 0.79 MEN1 (0.41) HSPB1S1PR4TGFBR1GCKMET
SCHEMBL4730615 0.78 HSPB1 (0.49) HSPB1GCKALDH1A1MAPTPYGL
SCHEMBL28593422 0.78 GCK (0.47) HSPB1GCKMETALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 US 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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 HSPB1 773/4885S1PR4 1022/4885TGFBR1 234/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF HSPB1 825/4885S1PR4 971/4885TGFBR1 353/4885

“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.