SCHEMBL3029255

SCHEMBL3029255

COc1cccc(C#N)c1C=C1C(=O)N(C)C(C)(Cc2ccccc2)C(=O)N1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIM1 P11309 1/20 0.34
HSD11B1 P28845 1/20 0.34
TSHR P16473 2/20 0.33
ESRRA P11474 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GNRHR P30968 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3029253 1.00 PKM (0.36) PKMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3021667 0.92 LMNA (0.35) PKMALDH1A1HSD11B1TSHRPOLB
SCHEMBL3021665 0.92 LMNA (0.35) PKMALDH1A1HSD11B1TSHRPOLB
SCHEMBL3795534 0.91 ELANE (0.34) ALDH1A1TSHRGRIA2GRIA4HSD17B10
SCHEMBL3795535 0.91 ELANE (0.34) ALDH1A1TSHRGRIA2GRIA4HSD17B10
SCHEMBL3802027 0.88 IMPDH2 (0.34) ALDH1A1CYP1A2CYP3A4CYP2C19PIM1
SCHEMBL3015918 0.88 PKM (0.34) PKMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3015915 0.88 PKM (0.34) PKMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3802029 0.88 IMPDH2 (0.34) ALDH1A1CYP1A2CYP3A4CYP2C19PIM1
SCHEMBL3015521 0.87 KDM4E (0.32) PKMALDH1A1TSHRHSD17B10GAA

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 PKM 4684/4885ALDH1A1 983/4885CYP1A2 322/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR PKM 497/4885ALDH1A1 1128/4885CYP1A2 376/4885

“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.