SCHEMBL3022115

SCHEMBL3022115

CN1C(=O)C(Cc2ccccc2[N+](=O)[O-])N(C)C(=O)C1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
CAPN1 P07384 1/20 0.47
CES2 O00748 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MMP2 P08253 1/20 0.45
ALDH1A1 P00352 6/20 0.45
TSHR P16473 1/20 0.43
ACHE P22303 1/20 0.42
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL3162262 0.93 ALDH1A1 (0.49) CAPN1CES2SIGMAR1ALDH1A1TSHR
SCHEMBL3171275 0.82 MAPT (0.45) CES2ALDH1A1TSHRACHEHTT
SCHEMBL29551638 0.81 CDK2 (0.40) CAPN1MMP2ALDH1A1HTTHPGD
SCHEMBL3023554 0.81 CAPN1 (0.42) GSK3BCAPN1CES2SIGMAR1MMP2
SCHEMBL3022022 0.81 ALDH1A1 (0.40) GSK3BCES2SIGMAR1MMP2ALDH1A1
SCHEMBL23873935 0.81 CAPN1 (0.67) CAPN1CES2MMP2
SCHEMBL3026819 0.79 ALDH1A1 (0.46) CAPN1MMP2ALDH1A1HTT
SCHEMBL3800988 0.79 ALDH1A1 (0.41) GSK3BCES2SIGMAR1MMP2ALDH1A1
SCHEMBL14464270 0.79 CAPN1 (0.53) CAPN1CES2MMP2
SCHEMBL3022087 0.78 CAPN1 (0.42) GSK3BCAPN1MMP2ALDH1A1TSHR

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 7 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
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP claimed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 WO claimed
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US disclosed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP disclosed
EP-1971580-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2010-02-24 EP disclosed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION 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-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR GSK3B 1375/4885CAPN1 3690/4885CES2 574/4885

“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.