SCHEMBL3021667

SCHEMBL3021667

COc1cccc(C#N)c1C=C1C(=O)N(C)C(C)(Cc2ccc(F)cc2)C(=O)N1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HCRTR2 O43614 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
GNRHR P30968 1/20 0.31
HTT P42858 1/20 0.31
CYP2C9 P11712 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
TSHR P16473 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL3021665 1.00 LMNA (0.35) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3029255 0.92 PKM (0.36) LMNAALDH1A1PKMNPSR1MAPT
SCHEMBL3029253 0.92 PKM (0.36) LMNAALDH1A1PKMNPSR1MAPT
SCHEMBL3017925 0.89 LMNA (0.33) LMNAALDH1A1KDM4E
SCHEMBL3017928 0.89 LMNA (0.33) LMNAALDH1A1KDM4E
SCHEMBL3026075 0.89 KDM4E (0.34) LMNAALDH1A1KDM4EPKMHPGD
SCHEMBL3026078 0.89 KDM4E (0.34) LMNAALDH1A1KDM4EPKMHPGD
SCHEMBL3010594 0.88 LMNA (0.34) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3010591 0.88 LMNA (0.34) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3799235 0.87 LMNA (0.35) LMNANPSR1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US claimed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US claimed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP claimed
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP claimed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 WO claimed
WO-2008152073-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 WO claimed
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US disclosed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US disclosed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP disclosed
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP disclosed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 WO disclosed
WO-2008152073-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 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-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action CBR3, CBR1, CNPY2 LMNA 1633/4885ALDH1A1 983/4885KDM4E 4015/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR LMNA 3263/4885ALDH1A1 1128/4885KDM4E 2283/4885

“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.