SCHEMBL2746846

SCHEMBL2746846

O=C(Nc1cccc2cc(Oc3ccnc4[nH]ncc34)ccc12)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.49
SIRT1 Q96EB6 6/20 0.49
SIRT3 Q9NTG7 6/20 0.49
TDP1 Q9NUW8 1/20 0.45
PDGFRA P16234 1/20 0.44
KDR P35968 4/20 0.44
FLT3 P36888 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
FGFR1 P11362 1/20 0.41
KMT2A Q03164 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
SCHEMBL2748127 0.92 SIRT2 (0.59) SIRT2SIRT1SIRT3PDGFRAKDR
SCHEMBL2747854 0.91 CYP3A4 (0.53) SIRT2SIRT1SIRT3PDGFRAKDR
SCHEMBL2746130 0.91 KDR (0.51) SIRT2SIRT1SIRT3PDGFRAKDR
SCHEMBL4548681 0.91 SIRT2 (0.61) SIRT2SIRT1SIRT3PDGFRAKDR
SCHEMBL2749452 0.89 FLT3 (0.54) SIRT2SIRT1SIRT3PDGFRAKDR
SCHEMBL2749056 0.89 SIRT2 (0.47) SIRT2SIRT1SIRT3PDGFRAKDR
SCHEMBL2749157 0.86 MAP3K7 (0.47) SIRT2SIRT1SIRT3TDP1PDGFRA
SCHEMBL2747967 0.84 BRAF (0.52) SIRT2SIRT1SIRT3KDRFLT3
SCHEMBL4548674 0.84 KDR (0.60) KDRCYP3A4CYP2D6
SCHEMBL2746837 0.81 KDR (0.66) KDRCYP3A4CYP2D6

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 10 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-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-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 SIRT2 1966/4885SIRT1 1349/4885SIRT3 1430/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET SIRT2 1966/4885SIRT1 1349/4885SIRT3 1430/4885

“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.