SCHEMBL5475446

SCHEMBL5475446

COc1cccc(-c2cnc(Nc3ccc(CN4CCOCC4)cc3)o2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.63
IMPDH2 P12268 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ACP1 P24666 1/20 0.49
MEN1 O00255 1/20 0.49
PRKD3 O94806 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
PRKD1 Q15139 1/20 0.49
PRKD2 Q9BZL6 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FLT1 P17948 2/20 0.49
FLT4 P35916 2/20 0.49
KDR P35968 2/20 0.49
HIF1A Q16665 2/20 0.48

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
SCHEMBL5465177 0.92 VCP (0.66) VCPIMPDH2LMNAACP1FLT1
SCHEMBL5465342 0.91 VCP (0.64) VCPIMPDH2SMN1; SMN2LMNANPC1
SCHEMBL5232448 0.90 VCP (0.63) VCPIMPDH2LMNAFLT1FLT4
SCHEMBL16349084 0.90 VCP (0.62) VCPIMPDH2LMNAFLT1FLT4
SCHEMBL5470454 0.87 VCP (0.69) VCPIMPDH2FLT1FLT4KDR
SCHEMBL5186215 0.85 KDR (0.59) VCPIMPDH2SMN1; SMN2LMNATP53
SCHEMBL5230351 0.81 VCP (0.63) VCPIMPDH2FLT1FLT4KDR
SCHEMBL5469457 0.80 VCP (0.68) VCPIMPDH2SMN1; SMN2LMNANPC1
SCHEMBL5472397 0.80 VCP (0.71) VCPIMPDH2FLT1FLT4KDR
SCHEMBL5472158 0.79 VCP (0.67) VCPIMPDH2SMN1; SMN2NPC1RAB9A

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-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US claimed
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 VCP 3873/4885IMPDH2 2297/4885SMN1; SMN2 3391/4885
US-20050288515-A1 Chemical compounds CDK4, CDK2, CDK3 VCP 3873/4885IMPDH2 2297/4885SMN1; SMN2 3391/4885

“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.