SCHEMBL3021818

SCHEMBL3021818

CN1C(=O)C(C)(Cc2ccc(F)cc2)NC(=O)C1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TACR1 P25103 2/20 0.36
SNCA P37840 1/20 0.35
GSK3B P49841 2/20 0.35
CES2 O00748 1/20 0.35
CCR3 P51677 1/20 0.33

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
SCHEMBL3022341 0.92 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL3022044 0.87 LMNA (0.35) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL3799436 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMAPTMAPK1
SCHEMBL3802086 0.87 ALDH1A1 (0.35) ALDH1A1KMT2AMAPTMAPK1LMNA
SCHEMBL3021663 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AMAPTLMNA
SCHEMBL3802447 0.83 LMNA (0.32) ALDH1A1KDM4EKMT2AMAPTMAPK1
SCHEMBL3017464 0.83 HTR6 (0.32) KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL3027934 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMAPTMAPK1
SCHEMBL3021682 0.82 ALDH1A1 (0.34) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL3024891 0.81 TACR1 (0.35) KMT2ATACR1

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 14 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-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 US claimed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP claimed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 EP claimed
EP-2054394-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-2008152072-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-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 US disclosed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP disclosed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 EP disclosed
EP-2054394-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-2008152072-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-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR ALDH1A1 1128/4885KDM4E 2283/4885KMT2A 2213/4885
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action CBR3, CBR1, CNPY2 ALDH1A1 1174/4885KDM4E 4069/4885KMT2A 3366/4885

“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.