SCHEMBL3802029

SCHEMBL3802029

COc1ccc(C#N)c(C=C2C(=O)N(C)C(C)(Cc3ccccc3)C(=O)N2C)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
CYBB P04839 2/20 0.33
NOX4 Q9NPH5 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
PIM1 P11309 1/20 0.33
KLKB1 P03952 2/20 0.33
GNRHR P30968 2/20 0.32
CHEK1 O14757 1/20 0.32
SLK Q9H2G2 2/20 0.32
STK10 O94804 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CTSD P07339 1/20 0.31

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
SCHEMBL3802027 1.00 IMPDH2 (0.34) IMPDH2IMPDH1CYBBNOX4ALDH1A1
SCHEMBL3022429 0.89 PLA2G7 (0.31)
SCHEMBL3022425 0.89 PLA2G7 (0.31)
SCHEMBL3029255 0.88 PKM (0.36) ALDH1A1CYP1A2CYP3A4CYP2C19PIM1
SCHEMBL3029253 0.88 PKM (0.36) ALDH1A1CYP1A2CYP3A4CYP2C19PIM1
SCHEMBL3021665 0.84 LMNA (0.35) ALDH1A1MEN1KMT2AGNRHRNPSR1
SCHEMBL3021667 0.84 LMNA (0.35) ALDH1A1MEN1KMT2AGNRHRNPSR1
SCHEMBL3795535 0.84 ELANE (0.34) ALDH1A1LMNAHSD17B10BACE1
SCHEMBL3795534 0.84 ELANE (0.34) ALDH1A1LMNAHSD17B10BACE1
SCHEMBL3022092 0.84 PGR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US claimed
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP claimed
WO-2008152073-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 WO claimed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US disclosed
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP 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 (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-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action CBR3, CBR1, CNPY2 IMPDH2 2024/4885IMPDH1 1766/4885CYBB 133/4885

“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.