SCHEMBL459243

SCHEMBL459243

CC(=O)NN=Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
RAB9A P51151 7/20 0.57
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
G6PD P11413 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NOX1 Q9Y5S8 1/20 0.54
POLB P06746 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
NCOR2 Q9Y618 1/20 0.53

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
SCHEMBL13496984 1.00 MEN1 (0.71) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL15423059 0.85 HDAC3 (0.60) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL4115183 0.83 MEN1 (0.77) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL333482 0.83 MEN1 (1.00) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL9067815 0.83 MEN1 (1.00) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL4115180 0.83 MEN1 (0.77) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL549490 0.83 MEN1 (1.00) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL31588094 0.83 MEN1 (0.77) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL78287 0.83 MEN1 (1.00) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL1562814 0.83 KMT2A (0.65) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2

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
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed
US-7534905-B2 Reagents for asymmetric allylation, aldol, and tandem aldol and allyation reactions THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-05-19 US disclosed
US-7534905-B2 Reagents for asymmetric allylation, aldol, and tandem aldol and allyation reactions THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-05-19 US disclosed
EP-1480988-A4 REAGENTS FOR ASYMMETRIC ALLYLATION, ALDOL, AND TANDEM ALDOL AND ALLYLATION REACTIONS UNIV COLUMBIA (US) 2006-03-29 EP disclosed
US-20050288525-A1 Reagents for asymmetric allylation, aldol, and tandem aldol and allylation reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-12-29 US disclosed
CN-1639172-A Reagents for asymmetric allylation, aldol, and tandem aldol and allylation reactions UNIV COLUMBIA (US) 2005-07-13 CN disclosed
EP-1480988-A1 REAGENTS FOR ASYMMETRIC ALLYLATION, ALDOL, AND TANDEM ALDOL AND ALLYLATION REACTIONS The Trustees of Columbia University in the City of New York (US) 2004-12-01 EP disclosed
WO-2003074534-A9 REAGENTS FOR ASYMMETRIC ALLYLATION, ALDOL, AND TANDEM ALDOL AND ALLYLATION REACTIONS UNIV COLUMBIA (US) 2003-11-20 WO disclosed
WO-2003074534-A1 REAGENTS FOR ASYMMETRIC ALLYLATION, ALDOL, AND TANDEM ALDOL AND ALLYLATION REACTIONS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2003-09-12 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 (1 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-20050288525-A1 Reagents for asymmetric allylation, aldol, and tandem aldol and allylation reactions AKR1C3, AKR1B10, CBR3 MEN1 3759/4885KMT2A 3237/4885RAB9A 1076/4885

“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.