Sugi Predict

Sugi Predict / Compounds / SCHEMBL3022497

SCHEMBL3022497

SCHEMBL3022497

CCC1(Cc2ccc(F)cc2)C(=O)N(C)C(=Cc2c(C)cccc2[N+](=O)[O-])C(=O)N1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ LMNA P02545 5/20 0.34
▸ XDH P47989 1/20 0.34
▸ KMT2A Q03164 6/20 0.33
▸ MAPT P10636 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ RECQL P46063 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ POLB P06746 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL3022495 1.00 ALDH1A1 (0.35) ALDH1A1LMNAXDHKMT2AMAPT
SCHEMBL3017593 0.92 LMNA (0.37) ALDH1A1LMNAXDHKMT2AMAPT
SCHEMBL3017590 0.92 LMNA (0.37) ALDH1A1LMNAXDHKMT2AMAPT
SCHEMBL3010852 0.92 XDH (0.35) ALDH1A1LMNAXDHKMT2AMAPT
SCHEMBL3010856 0.92 XDH (0.35) ALDH1A1LMNAXDHKMT2AMAPT
SCHEMBL3024223 0.89 ALDH1A1 (0.37) ALDH1A1LMNAXDHKMT2AMAPT
SCHEMBL3024224 0.89 ALDH1A1 (0.37) ALDH1A1LMNAXDHKMT2AMAPT
SCHEMBL3802041 0.88 XDH (0.39) ALDH1A1LMNAXDHKMT2AMAPT
SCHEMBL3802039 0.88 XDH (0.39) ALDH1A1LMNAXDHKMT2AMAPT
SCHEMBL3021816 0.88 ALDH1A1 (0.36) ALDH1A1LMNAXDHKMT2AMAPT

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 ALDH1A1 983/4885LMNA 1633/4885XDH 2478/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR ALDH1A1 1128/4885LMNA 3263/4885XDH 1655/4885

“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.