SCHEMBL4730615

SCHEMBL4730615

O=C(Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.49
GCK P35557 2/20 0.47
PYGL P06737 3/20 0.46
PYGM P11217 3/20 0.46
GAA P10253 1/20 0.45
KDR P35968 10/20 0.44
BRAF P15056 5/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL4330562 0.94 GCK (0.50) HSPB1GCKPYGLPYGMGAA
SCHEMBL29251625 0.86 GCK (0.52) HSPB1GCKPYGLPYGMGAA
SCHEMBL29251357 0.86 GCK (0.47) HSPB1GCKPYGLPYGMKDR
SCHEMBL28593422 0.83 GCK (0.47) HSPB1GCKPYGLPYGMKDR
SCHEMBL4335111 0.83 GCK (0.49) HSPB1GCKPYGLPYGMGAA
SCHEMBL28352008 0.83 KDR (0.59) KDRBRAF
SCHEMBL4730770 0.83 GCK (0.43) HSPB1GCKPYGLPYGMKDR
SCHEMBL4330869 0.83 GCK (0.55) GCKPYGLPYGMGAAALDH1A1
SCHEMBL16895229 0.82 KDR (0.59) HSPB1GCKPYGLPYGMKDR
SCHEMBL4329492 0.82 MEN1 (0.55) GCKPYGLPYGMGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
WO-2008046216-A1 KINASE INHIBITORS AND USES THEREOF METHYLGENE, INC. (CA) 2008-04-24 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 HSPB1 3174/4885GCK 993/4885PYGL 585/4885

“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.