SCHEMBL3023554

SCHEMBL3023554

CN1C(=O)C(Cc2c(F)cccc2[N+](=O)[O-])N(C)C(=O)C1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.42
MMP2 P08253 1/20 0.41
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.37
GSK3B P49841 1/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TACR1 P25103 1/20 0.35
GFER P55789 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL3027870 0.87 CAPN1 (0.41) CAPN1MMP2ALDH1A1HTTGSK3B
SCHEMBL3026819 0.84 ALDH1A1 (0.46) CAPN1MMP2ALDH1A1HTTKMT2A
SCHEMBL3029327 0.83 MMP2 (0.34) MMP2ALDH1A1HTTKMT2AMEN1
SCHEMBL3801876 0.81 ELANE (0.33) MMP2ALDH1A1HTTKMT2AMEN1
SCHEMBL3022115 0.81 GSK3B (0.47) CAPN1MMP2ALDH1A1HTTGSK3B
SCHEMBL3022057 0.77 CAPN1 (0.43) CAPN1ALDH1A1PLA2G10PLA2G5KMT2A
SCHEMBL3021682 0.77 ALDH1A1 (0.34) MMP2ALDH1A1HTTKMT2AMEN1
SCHEMBL3023678 0.76 MMP2 (0.38) MMP2ALDH1A1HTTKMT2AMEN1
SCHEMBL3023680 0.76 MMP2 (0.38) MMP2ALDH1A1HTTKMT2AMEN1
SCHEMBL3010865 0.76 LMNA (0.36) ALDH1A1HTTKMT2AMEN1POLB

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 CAPN1 3690/4885MMP2 1650/4885ALDH1A1 1128/4885

“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.