SCHEMBL3027870

SCHEMBL3027870

CN1C(=O)C(Cc2c([N+](=O)[O-])ccc(F)c2F)N(C)C(=O)C1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.41
MMP2 P08253 2/20 0.40
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TACR1 P25103 1/20 0.35
NPBWR1 P48145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 1/20 0.35
GFER P55789 1/20 0.34
TXNRD1 Q16881 3/20 0.34
TMEM97 Q5BJF2 2/20 0.34
GSR P00390 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
GSK3B P49841 1/20 0.34
CFTR P13569 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
SCHEMBL3023554 0.87 CAPN1 (0.42) CAPN1MMP2PLA2G10PLA2G5ALDH1A1
SCHEMBL3031270 0.83 MMP2 (0.33) MMP2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3792828 0.82 ELANE (0.33) MMP2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3026819 0.78 ALDH1A1 (0.46) CAPN1MMP2ALDH1A1HDAC6KMT2A
SCHEMBL3022115 0.78 GSK3B (0.47) CAPN1MMP2ALDH1A1HTTGSK3B
SCHEMBL3024183 0.78 CAPN1 (0.42) CAPN1MMP2PLA2G10PLA2G5HDAC6
SCHEMBL3031993 0.78 GFER (0.33) MMP2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3027837 0.77 MMP2 (0.38) CAPN1MMP2ALDH1A1HDAC6MEN1
SCHEMBL3027834 0.77 MMP2 (0.38) CAPN1MMP2ALDH1A1HDAC6MEN1
SCHEMBL3798222 0.76 GFER (0.32) ALDH1A1MEN1KMT2AGFERLMNA

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 1650/4885PLA2G10 1902/4885

“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.