SCHEMBL2196495

SCHEMBL2196495

CCCCCNc1ccc2obcc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
KCNH3 Q9ULD8 2/20 0.43
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 2/20 0.35
ADRA2A P08913 1/20 0.34
CNR2 P34972 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
AR P10275 1/20 0.33
PLK1 P53350 3/20 0.32
ACHE P22303 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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 0.76 ABL1 (0.47) ABL1KCNH3ALDH1A1EPHX1ADRA2A
SCHEMBL28158771 0.71 ALDH1A1 (0.56) ABL1ALDH1A1ACHE
SCHEMBL8589161 0.71 EPHX1 (0.60) ABL1KCNH3ALDH1A1EPHX1CNR2
SCHEMBL1241959 0.71 ABL1 (0.56) ABL1KCNH3ALDH1A1ADRA2AACHE
SCHEMBL2196500 0.71 ABL1 (0.44) ABL1KCNH3ALDH1A1ADRA2ACNR2
SCHEMBL10583953 0.70 EPHX1 (0.62) ABL1KCNH3ALDH1A1EPHX1CNR2
SCHEMBL12260011 0.70 ABL1 (0.54) ABL1KCNH3ALDH1A1EPHX1ADRA2A
SCHEMBL12260009 0.70 ABL1 (0.54) ABL1KCNH3ALDH1A1EPHX1ADRA2A
SCHEMBL11683978 0.70 EPHX1 (0.62) ABL1KCNH3ALDH1A1EPHX1CNR2
SCHEMBL11683181 0.70 EPHX1 (0.62) ABL1KCNH3ALDH1A1EPHX1CNR2

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 4583/4885ALDH1A1 4038/4885
US-20130289000-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF ABL1 287/4885KCNH3 4583/4885ALDH1A1 4038/4885

“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.