Sugi Predict

Sugi Predict / Compounds / SCHEMBL3026544

SCHEMBL3026544

SCHEMBL3026544

CCC1(Cc2ccccc2)NC(=O)C(=Cc2c(C)cccc2[N+](=O)[O-])N(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ ELANE P08246 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTT P42858 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ XDH P47989 2/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TDP2 O95551 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ CASP9 P55211 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ CASP8 Q14790 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL3026542 1.00 TDP1 (0.34) TDP1ALDH1A1ELANEHSD17B10HTT
SCHEMBL3027788 0.92 ALDH1A1 (0.34) ALDH1A1HTTMAPTNPSR1KDM4E
SCHEMBL3027787 0.92 ALDH1A1 (0.34) ALDH1A1HTTMAPTNPSR1KDM4E
SCHEMBL3029797 0.90 TDP1 (0.34) TDP1ALDH1A1ELANEHTTMAPT
SCHEMBL3029795 0.90 TDP1 (0.34) TDP1ALDH1A1ELANEHTTMAPT
SCHEMBL3799488 0.88 XDH (0.37) TDP1ALDH1A1ELANEHTTMAPT
SCHEMBL3792542 0.88 XDH (0.37) TDP1ALDH1A1ELANEHTTMAPT
SCHEMBL3024312 0.88 MAPT (0.39) TDP1ALDH1A1HTTMAPTNPSR1
SCHEMBL3792545 0.88 XDH (0.37) TDP1ALDH1A1ELANEHTTMAPT
SCHEMBL3024308 0.88 MAPT (0.39) TDP1ALDH1A1HTTMAPTNPSR1

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
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-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 (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 TDP1 3613/4885ALDH1A1 983/4885ELANE 3135/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR TDP1 1489/4885ALDH1A1 1128/4885ELANE 4638/4885

“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.