SCHEMBL769170

SCHEMBL769170

N#CC1=CCCc2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 1/20 0.40
PNMT P11086 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
TYMS P04818 2/20 0.32
CHEK2 O96017 1/20 0.32
ROS1 P08922 1/20 0.32
MARK3 P27448 1/20 0.32
LTK P29376 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
AURKB Q96GD4 1/20 0.32
PBK Q96KB5 1/20 0.32
STK17A Q9UEE5 1/20 0.32
MAP4K5 Q9Y4K4 1/20 0.32
BACE1 P56817 1/20 0.31
METAP1 P53582 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
SCHEMBL9448042 0.86 PARP10 (0.40) PARP10TDP1L3MBTL1PNMTASIC3
SCHEMBL769025 0.79 PARP1 (0.40) PARP10PARP1TYMSCYP19A1
SCHEMBL17188065 0.77 TDP1 (0.41) PARP10TDP1L3MBTL1PARP1PNMT
SCHEMBL5981019 0.76 MPO (0.48) METAP1CYP19A1
SCHEMBL2775537 0.74 CES1 (0.39) PARP10L3MBTL1PARP1PARP11
SCHEMBL28569205 0.73 PARP10 (0.43) PARP10TDP1L3MBTL1PARP1PNMT
SCHEMBL9483990 0.73 PARP10 (0.43) PARP10TDP1L3MBTL1PARP1PNMT
SCHEMBL769013 0.72 GABRA1 (0.31)
SCHEMBL1530494 0.71 METAP1 (0.36) PARP10PNMTASIC3METAP1CYP19A1
SCHEMBL7348531 0.70 NAMPT (0.40) TDP1L3MBTL1

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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
CN-101374517-A Use of 2-imidazoles for the treatment of CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-25 CN disclosed
EP-1981499-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 PARP10 2663/4885TDP1 1412/4885L3MBTL1 3198/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 PARP10 2730/4885TDP1 1271/4885L3MBTL1 3151/4885

“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.