SCHEMBL1333722

SCHEMBL1333722

O=C=Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.56
MAOA P21397 1/20 0.56
BCHE P06276 4/20 0.54
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
NR4A2 P43354 1/20 0.53
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CDK4 P11802 1/20 0.51
CCNB1 P14635 1/20 0.51
CCND1 P24385 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
GRM5 P41594 1/20 0.48
SMPD1 P17405 1/20 0.48
ALOX5 P09917 1/20 0.47
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL14660991 0.91 MAOB (0.49) MAOBMAOABCHECYP4F2CYP4A11
SCHEMBL8558271 0.87 MEN1 (0.54) MAOBMAOABCHECYP4F2CYP4A11
SCHEMBL19344687 0.87 MEN1 (0.50) MAOBMAOABCHECYP4F2CYP4A11
SCHEMBL10803743 0.85 FFAR1 (0.47) MAOBMAOA
SCHEMBL1399693 0.84 MAOB (0.53) MAOBMAOABCHECYP4F2CYP4A11
SCHEMBL10811084 0.84 DRD2 (0.48) MAOBMAOABCHE
SCHEMBL11374809 0.82 MAOB (0.57) MAOBMAOAGRM5
SCHEMBL23838435 0.82 MAOB (0.57) MAOBMAOABCHECYP4F2CYP4A11
SCHEMBL241348 0.82 LMNA (0.55) MAOBMAOABCHENR4A2KDM4E
SCHEMBL11387676 0.82 CYP3A4 (0.53) MAOBMAOABCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54103837-A None JP disclosed
JP-54103838-A None JP disclosed
WO-2012061602-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2012-05-10 WO disclosed
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2011-11-10 US disclosed
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-25 US disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed
US-20060287370-A1 Isoindolinone kinase inhibitors CURTIN MICHAEL L 2006-12-21 US disclosed
US-7129260-B2 Isoindolinone kinase inhibitors ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
EP-1633710-A1 ISOINDOLIN-1-ONE COMPOUNDS AS KINASE INHIBITORS Abbott Laboratories (US) 2006-03-15 EP disclosed
US-20050026976-A1 Isoindolinone kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US disclosed
WO-2004108672-A1 ISOINDOLIN-1-ONE COMPOUNDS AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-16 WO disclosed
JP-S54103837-A SUBSTITUTED PHENYLUREA DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEM CO LTD 1979-08-15 JP disclosed
JP-S54103838-A SUBSTITUTED PHENYLUREA DERIVATIVE, ITS PRODUCTION AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEM CO LTD 1979-08-15 JP 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 (6 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 MAOB 3390/4885MAOA 3790/4885BCHE 688/4885
US-20060287370-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 MAOB 1797/4885MAOA 2168/4885BCHE 4081/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH MAOB 2494/4885MAOA 2774/4885BCHE 2976/4885
US-20050026976-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 MAOB 1797/4885MAOA 2168/4885BCHE 4081/4885
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABL1, LCK, MAP3K7 MAOB 1797/4885MAOA 2168/4885BCHE 4081/4885
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS MAP3K7, MAP3K5, MAP3K20 MAOB 2890/4885MAOA 3102/4885BCHE 3845/4885

“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.