SCHEMBL5481859

SCHEMBL5481859

COc1ccc([N+](=O)[O-])cc1Nc1ncc(-c2ccccc2)o1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.66
FLT1 P17948 17/20 0.66
FLT4 P35916 17/20 0.66
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL5481691 0.82 KDR (0.73) KDRFLT1FLT4
SCHEMBL31060643 0.80 KDR (0.97) KDRFLT1FLT4
SCHEMBL5232183 0.80 KDR (0.97) KDRFLT1FLT4
SCHEMBL5468589 0.80 KDR (1.00) KDRFLT1FLT4
SCHEMBL5184593 0.79 KDR (0.67) KDRFLT1FLT4
Gw572401X SCHEMBL5469333 0.79 KDR (1.00) KDRFLT1FLT4
SCHEMBL20703563 0.78 KDR (0.96) KDRFLT1FLT4
SCHEMBL2343342 0.76 ALDH1A1 (0.47) KDRFLT1FLT4MEN1KMT2A
SCHEMBL544436 0.75 KIT (0.47) KDRFLT1FLT4KMT2A
SCHEMBL5482897 0.75 KDR (0.80) KDRFLT1FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288515-A1 Chemical compounds SMITHLINE BEECHAM CORPORATION 2005-12-29 US claimed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20050288515-A1 Chemical compounds SMITHLINE BEECHAM CORPORATION 2005-12-29 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-20070142437-A1 CHEMICAL COMPOUNDS CDK4, CDK2, CDK3 KDR 33/4885FLT1 56/4885FLT4 47/4885
US-20050288515-A1 Chemical compounds CDK4, CDK2, CDK3 KDR 33/4885FLT1 56/4885FLT4 47/4885

“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.