Sugi Predict

Sugi Predict / Compounds / SCHEMBL3016997

SCHEMBL3016997

SCHEMBL3016997

CCC1(Cc2ccc(F)cc2)NC(=O)/C(=C\c2c([N+](=O)[O-])ccc(F)c2F)N(C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ TXNRD1 Q16881 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL3016999 1.00 LMNA (0.32) LMNAHTR6TXNRD1KDM4EMEN1
SCHEMBL3026342 0.93 ELANE (0.32) LMNAHTR6MEN1KMT2AALDH1A1
SCHEMBL3026346 0.93 ELANE (0.32) LMNAHTR6MEN1KMT2AALDH1A1
SCHEMBL3021615 0.89 LMNA (0.36) LMNAKDM4EMEN1MAPTRECQL
SCHEMBL3021613 0.89 LMNA (0.36) LMNAKDM4EMEN1MAPTRECQL
SCHEMBL3027825 0.88 LMNA (0.33) LMNAHTR6TXNRD1KDM4EMEN1
SCHEMBL3027828 0.88 LMNA (0.33) LMNAHTR6TXNRD1KDM4EMEN1
SCHEMBL3027787 0.86 ALDH1A1 (0.34) LMNAKDM4EMEN1MAPTRECQL
SCHEMBL3027788 0.86 ALDH1A1 (0.34) LMNAKDM4EMEN1MAPTRECQL
SCHEMBL3017571 0.85 ALDH1A1 (0.34) LMNATXNRD1KDM4EMEN1MAPT

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 10 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
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 — — US claimed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 — — EP claimed
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 — — EP claimed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 — — WO claimed
WO-2008152073-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 — — WO claimed
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 — — US disclosed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 — — 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 (2 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-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action CBR3, CBR1, CNPY2 LMNA 1633/4885HTR6 3356/4885TXNRD1 935/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR LMNA 3263/4885HTR6 2802/4885TXNRD1 554/4885

“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.