SCHEMBL3022041

SCHEMBL3022041

CN1C(=O)C(Cc2ccc(F)cc2)N(C)C(=O)C1=Cc1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.35
CAPN1 P07384 1/20 0.33
LMNA P02545 4/20 0.32
HTR6 P50406 1/20 0.32
KMT2A Q03164 3/20 0.31
XDH P47989 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MMP1 P03956 1/20 0.30
MMP9 P14780 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
SCHEMBL3022040 1.00 TXNRD1 (0.35) TXNRD1CAPN1LMNAHTR6KMT2A
SCHEMBL3027837 0.92 MMP2 (0.38) TXNRD1CAPN1LMNAKMT2AXDH
SCHEMBL3027834 0.92 MMP2 (0.38) TXNRD1CAPN1LMNAKMT2AXDH
SCHEMBL3015641 0.88 LMNA (0.36) TXNRD1CAPN1LMNAKMT2AXDH
SCHEMBL3015643 0.88 LMNA (0.36) TXNRD1CAPN1LMNAKMT2AXDH
SCHEMBL3017366 0.85 XDH (0.35) TXNRD1CAPN1LMNAKMT2AXDH
SCHEMBL3017364 0.85 XDH (0.35) TXNRD1CAPN1LMNAKMT2AXDH
SCHEMBL3024361 0.84 ALDH1A1 (0.38) TXNRD1LMNAKMT2AXDHALDH1A1
SCHEMBL3024360 0.84 ALDH1A1 (0.38) TXNRD1LMNAKMT2AXDHALDH1A1
SCHEMBL3026212 0.82 XDH (0.49) CAPN1LMNAKMT2AXDHALDH1A1

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 TXNRD1 554/4885CAPN1 3690/4885LMNA 3263/4885

“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.