SCHEMBL5472883

SCHEMBL5472883

COc1cccc(-c2cnc(Nc3ccc(N4CCCCC4)nc3)o2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.62
IMPDH2 P12268 6/20 0.58
KDR P35968 6/20 0.54
FLT1 P17948 5/20 0.54
FLT4 P35916 5/20 0.54
DGAT1 O75907 4/20 0.51
GALR2 O43603 1/20 0.42
GALR1 P47211 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL5465207 0.91 VCP (0.61) VCPIMPDH2KDRFLT1FLT4
SCHEMBL16349128 0.90 VCP (0.60) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5469457 0.88 VCP (0.68) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5465342 0.81 VCP (0.64) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5475464 0.81 VCP (0.61) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5477719 0.81 VCP (0.46) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5470454 0.81 VCP (0.69) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5465177 0.80 VCP (0.66) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5472158 0.79 VCP (0.67) VCPIMPDH2KDRFLT1FLT4
SCHEMBL16349175 0.79 KDR (0.45) VCPIMPDH2KDRFLT1FLT4

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-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 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 2297/4885KDR 33/4885
US-20050288515-A1 Chemical compounds CDK4, CDK2, CDK3 VCP 3873/4885IMPDH2 2297/4885KDR 33/4885

“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.