SCHEMBL2196500

SCHEMBL2196500

CCCCCNc1ccc2ocbc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
KCNH3 Q9ULD8 2/20 0.37
CNR2 P34972 3/20 0.36
ALDH1A1 P00352 1/20 0.36
ADRA2A P08913 1/20 0.34
AR P10275 1/20 0.33
PLK1 P53350 3/20 0.32
DNM2 P50570 2/20 0.32
BACE1 P56817 1/20 0.32
S1PR2 O95136 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR84 Q9NQS5 2/20 0.31
BCHE P06276 1/20 0.31
CNR1 P21554 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL7788846 0.73 ABL1 (0.47) ABL1KCNH3ALDH1A1ADRA2A
SCHEMBL1241959 0.71 ABL1 (0.56) ABL1KCNH3ALDH1A1ADRA2ALMNA
SCHEMBL2196495 0.71 ABL1 (0.44) ABL1KCNH3CNR2ALDH1A1ADRA2A
SCHEMBL16439908 0.69 ABL1 (0.59) ABL1KCNH3ALDH1A1ADRA2APLK1
SCHEMBL187892 0.69 ABL1 (0.59) ABL1KCNH3ALDH1A1ADRA2APLK1
SCHEMBL2720066 0.69 ABL1 (0.59) ABL1KCNH3ALDH1A1ADRA2APLK1
SCHEMBL11498100 0.69 ABL1 (0.59) ABL1KCNH3ALDH1A1ADRA2APLK1
SCHEMBL9506930 0.69 ABL1 (0.59) ABL1KCNH3ALDH1A1ADRA2APLK1
SCHEMBL11476522 0.69 ABL1 (0.59) ABL1KCNH3ALDH1A1ADRA2APLK1
SCHEMBL3395174 0.69 ABL1 (0.59) ABL1KCNH3ALDH1A1ADRA2APLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289000-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2013-10-31 US disclosed
US-8470803-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
EP-2348863-A1 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
US-20110166103-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
WO-2010027975-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-03-11 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 (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-20110166103-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF ABL1 287/4885KCNH3 4583/4885CNR2 1024/4885
US-20130289000-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF ABL1 287/4885KCNH3 4583/4885CNR2 1024/4885

“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.