SCHEMBL2887787

SCHEMBL2887787

O=C(c1cc[c]cc1)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.46
HPGD P15428 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
C1S P09871 1/20 0.44
CTSL P07711 1/20 0.43
BRD4 O60885 1/20 0.43
PBRM1 Q86U86 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3838580 0.86 PARP1 (0.63) PARP1L3MBTL1TDP1ATMALDH1A1
SCHEMBL30153175 0.86 PARP1 (0.68) PARP1L3MBTL1TDP1ATMALDH1A1
SCHEMBL241785 0.86 PARP1 (0.68) PARP1L3MBTL1TDP1ATMALDH1A1
SCHEMBL40538 0.84 ATM (0.71) PARP1L3MBTL1TDP1ATMALDH1A1
Hydrochloric Acid SCHEMBL27869733 0.84 PARP1 (0.65) PARP1L3MBTL1TDP1ATMALDH1A1
SCHEMBL3838117 0.82 PARP1 (0.59) PARP1L3MBTL1TDP1ATMALDH1A1
SCHEMBL11290390 0.79 MAPT (0.58) PARP1L3MBTL1TDP1ATMALDH1A1
SCHEMBL5687920 0.78 LMNA (0.57) L3MBTL1TDP1ALDH1A1HTTHPGD
SCHEMBL9353635 0.78 FLT1 (0.55) PARP1L3MBTL1TDP1ATMALDH1A1
SCHEMBL19530988 0.78 LMNA (0.63) PARP1L3MBTL1TDP1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
US-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus ALTANA PHARMA AG (DE) 2006-12-14 US disclosed
CN-1842516-A Amide compounds and method for controlling plant diseases using the same SUMITOMO CHEMICAL CO (JP) 2006-10-04 CN disclosed
US-20060122064-A1 Amides and method for plant diseases control with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 EP disclosed
EP-1640360-A1 AMIDES AND METHOD FOR PLANT DISEASE CONTROL WITH THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-29 EP disclosed
EP-1147089-B1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-12-07 EP disclosed
WO-2005023253-A1 USE OF PDE4 INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS ALTANA PHARMA AG (DE) 2005-03-17 WO disclosed
CN-1152864-C Phenylphenanthridines with PDE-IV inhibiting activity ��̹��ҽҩ��˾ 2004-06-09 CN disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 US disclosed
CN-1336919-A Phenylphenanthridines with PDE-IV inhibiting activity BYK GULDEN LOMBERG CHEM FAB (DE) 2002-02-20 CN disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
CN-1301305-A Serine protease variants with amino acid substitutions PROCTER & GAMBLE (US) 2001-06-27 CN disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 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-20060122064-A1 Amides and method for plant diseases control with the same ARG1, ARGLU1, ARG2 PARP1 4554/4885L3MBTL1 4/4885TDP1 4142/4885
US-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus PDE4A, PDE4B, PDE12 PARP1 2792/4885L3MBTL1 4348/4885TDP1 337/4885

“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.