Sugi Predict

Sugi Predict / Compounds / SCHEMBL3017907

SCHEMBL3017907

SCHEMBL3017907

CCC1(Cc2ccccc2)C(=O)N(C)C(=Cc2c([N+](=O)[O-])ccc(F)c2F)C(=O)N1C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.33
▸ XDH P47989 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ HTR6 P50406 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ POLB P06746 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
SCHEMBL3017904 1.00 ELANE (0.33) ELANEXDHMEN1KMT2AALDH1A1
SCHEMBL3021585 0.93 HTR6 (0.34) XDHMEN1KMT2AALDH1A1MAPT
SCHEMBL3021587 0.93 HTR6 (0.34) XDHMEN1KMT2AALDH1A1MAPT
SCHEMBL3022085 0.90 XDH (0.35) ELANEXDHMEN1KMT2AALDH1A1
SCHEMBL3022083 0.90 XDH (0.35) ELANEXDHMEN1KMT2AALDH1A1
SCHEMBL3029588 0.87 XDH (0.34) ELANEXDHMEN1KMT2AALDH1A1
SCHEMBL3029589 0.87 XDH (0.34) ELANEXDHMEN1KMT2AALDH1A1
SCHEMBL3010852 0.85 XDH (0.35) ELANEXDHMEN1KMT2AALDH1A1
SCHEMBL3010856 0.85 XDH (0.35) ELANEXDHMEN1KMT2AALDH1A1
SCHEMBL3017958 0.83 PGR (0.31) ELANE

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 ELANE 3135/4885XDH 2478/4885MEN1 4546/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR ELANE 4638/4885XDH 1655/4885MEN1 4521/4885

“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.