SCHEMBL3017189

SCHEMBL3017189

C=Cc1cccc([N+](=O)[O-])c1C=C1C(=O)N(C)C(Cc2ccccc2)C(=O)N1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.42
MMP2 P08253 1/20 0.37
MAPT P10636 6/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
NOD2 Q9HC29 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GFER P55789 1/20 0.34
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 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
SCHEMBL3017186 1.00 XDH (0.42) XDHMMP2MAPTTDP1KMT2A
SCHEMBL3017361 0.87 XDH (0.50) XDHMMP2MAPTTDP1KMT2A
SCHEMBL3122502 0.87 XDH (0.50) XDHMMP2MAPTTDP1KMT2A
SCHEMBL3017358 0.87 XDH (0.50) XDHMMP2MAPTTDP1KMT2A
SCHEMBL3023678 0.86 MMP2 (0.38) XDHMMP2MAPTKMT2AMEN1
SCHEMBL3023680 0.86 MMP2 (0.38) XDHMMP2MAPTKMT2AMEN1
SCHEMBL3022198 0.85 ALDH1A1 (0.39) XDHMMP2MAPTTDP1KMT2A
SCHEMBL3022201 0.85 ALDH1A1 (0.39) XDHMMP2MAPTTDP1KMT2A
SCHEMBL3021562 0.82 GFER (0.34) GFERMMP1MMP9
SCHEMBL3021565 0.82 GFER (0.34) GFERMMP1MMP9

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 6 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
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 XDH 1655/4885MMP2 1650/4885MAPT 3519/4885

“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.