SCHEMBL6522948

SCHEMBL6522948

Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.56
KIT P10721 2/20 0.56
FLT1 P17948 2/20 0.56
KDR P35968 2/20 0.56
ABL2 P42684 2/20 0.56
FLT4 P35916 1/20 0.56
HRH4 Q9H3N8 5/20 0.42
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
RAB9A P51151 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
HDAC2 Q92769 1/20 0.35

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
SCHEMBL5496302 1.00 ADH1A (0.56) ADH1AKITFLT1KDRABL2
SCHEMBL12842016 0.93 ADH1A (0.49) ADH1AKITFLT1KDRABL2
SCHEMBL8107146 0.92 ADH1A (0.45) ADH1AKITFLT1KDRABL2
SCHEMBL6515510 0.91 KIT (0.58) ADH1AKITFLT1KDRABL2
SCHEMBL6515515 0.91 KIT (0.58) ADH1AKITFLT1KDRABL2
SCHEMBL6525141 0.90 ADH1A (0.57) ADH1AKITFLT1KDRABL2
SCHEMBL6525144 0.90 ADH1A (0.57) ADH1AKITFLT1KDRABL2
SCHEMBL6517282 0.89 ADH1A (0.61) ADH1AKITFLT1KDRABL2
SCHEMBL6517278 0.89 ADH1A (0.61) ADH1AKITFLT1KDRABL2
SCHEMBL6517681 0.89 ADH1A (0.54) ADH1AKITFLT1KDRABL2

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-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 US disclosed
US-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 US disclosed
US-20120301490-A1 IMMUNOCONJUGATES, COMPOSITIONS FOR MAKING THEM, AND METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY 2012-11-29 US disclosed
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-06-10 US disclosed
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-06-10 US disclosed
WO-2008083312-A2 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-07-10 WO disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 WO 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 (3 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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK ADH1A 4729/4885KIT 1086/4885FLT1 4650/4885
US-20120301490-A1 IMMUNOCONJUGATES, COMPOSITIONS FOR MAKING THEM, AND METHODS OF MAKING AND USE TOP1, TOP2B, OGG1 ADH1A 1459/4885KIT 2307/4885FLT1 1547/4885
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF XIAP, ADAM8, CLSPN ADH1A 3968/4885KIT 3698/4885FLT1 3080/4885

“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.