SCHEMBL5472146

SCHEMBL5472146

COc1cccc(-c2cnc(Cl)o2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.55
DYRK1A Q13627 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
FAAH O00519 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
KDM4E B2RXH2 4/20 0.47
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
FLT1 P17948 2/20 0.46

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
SCHEMBL2406093 0.83 VCP (0.56) VCPDYRK1ACLK4FAAHSMN1; SMN2
SCHEMBL5186144 0.82 CYP1A2 (0.51) VCPSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL15976211 0.82 CYP1A2 (0.41) VCPFAAHNPC1RAB9AMAPT
SCHEMBL5184574 0.81 VCP (0.55) VCPDYRK1ACLK4FAAHSMN1; SMN2
SCHEMBL5186160 0.81 VCP (0.55) VCPDYRK1ACLK4FAAHSMN1; SMN2
SCHEMBL14638259 0.81 PRKDC (0.46) DYRK1ACYP3A4
SCHEMBL29394070 0.81 VCP (0.52) VCPDYRK1ACLK4FAAHSMN1; SMN2
SCHEMBL22556727 0.81 VCP (0.52) VCPDYRK1ACLK4FAAHSMN1; SMN2
SCHEMBL23554038 0.79 KDM4E (0.49) CLK4MAPTALDH1A1KDM4E
SCHEMBL5186180 0.79 VCP (0.53) VCPDYRK1ACLK4FAAHSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3873/4885DYRK1A 673/4885CLK4 574/4885
US-20050288515-A1 Chemical compounds CDK4, CDK2, CDK3 VCP 3873/4885DYRK1A 673/4885CLK4 574/4885

“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.