SCHEMBL4548757

SCHEMBL4548757

CNC(=O)c1cc(Oc2ccc3c(NC(=O)c4cccnc4)cccc3c2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.57
SIRT2 Q8IXJ6 3/20 0.55
SIRT1 Q96EB6 3/20 0.55
SIRT3 Q9NTG7 3/20 0.55
BRAF P15056 9/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL2746237 0.90 KDR (0.60) KDRSIRT2SIRT1SIRT3BRAF
SCHEMBL4548758 0.89 KDR (0.59) KDRSIRT2SIRT1SIRT3BRAF
SCHEMBL4548767 0.88 KDR (0.58) KDRSIRT2SIRT1SIRT3BRAF
SCHEMBL2748022 0.87 KDR (0.64) KDRSIRT2SIRT1SIRT3BRAF
SCHEMBL2747463 0.87 KDR (0.57) KDRSIRT2SIRT1SIRT3BRAF
SCHEMBL4548754 0.87 KDR (0.57) KDRSIRT2SIRT1SIRT3BRAF
SCHEMBL2747087 0.87 SIRT2 (0.62) KDRSIRT2SIRT1SIRT3BRAF
SCHEMBL4548755 0.87 KDR (0.58) KDRSIRT2SIRT1SIRT3BRAF
SCHEMBL4548770 0.87 KDR (0.58) KDRSIRT2SIRT1SIRT3BRAF
SCHEMBL2749251 0.86 KDR (0.70) KDRSIRT2SIRT1SIRT3BRAF

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-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 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-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885SIRT2 1966/4885SIRT1 1349/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885SIRT2 1966/4885SIRT1 1349/4885

“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.