SCHEMBL3027837

SCHEMBL3027837

CN1C(=O)C(Cc2ccccc2)N(C)C(=O)C1=Cc1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.38
GFER P55789 1/20 0.34
XDH P47989 1/20 0.33
TXNRD1 Q16881 3/20 0.32
GSR P00390 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
NPBWR1 P48145 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCHR1 Q99705 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
CAPN1 P07384 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3027834 1.00 MMP2 (0.38) MMP2GFERXDHTXNRD1GSR
SCHEMBL3022041 0.92 TXNRD1 (0.35) XDHTXNRD1ALDH1A1MEN1KMT2A
SCHEMBL3022040 0.92 TXNRD1 (0.35) XDHTXNRD1ALDH1A1MEN1KMT2A
SCHEMBL3023680 0.89 MMP2 (0.38) MMP2GFERXDHALDH1A1MEN1
SCHEMBL3023678 0.89 MMP2 (0.38) MMP2GFERXDHALDH1A1MEN1
SCHEMBL3022321 0.84 GFER (0.37) MMP2GFERHDAC6CAPN1
SCHEMBL3022324 0.84 GFER (0.37) MMP2GFERHDAC6CAPN1
SCHEMBL4236373 0.84 GFER (0.37) MMP2GFERHDAC6CAPN1
SCHEMBL3015641 0.82 LMNA (0.36) MMP2XDHTXNRD1ALDH1A1MEN1
SCHEMBL3015643 0.82 LMNA (0.36) MMP2XDHTXNRD1ALDH1A1MEN1

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 MMP2 1650/4885GFER 47/4885XDH 1655/4885

“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.