SCHEMBL3026342

SCHEMBL3026342

CCC1(Cc2ccccc2)NC(=O)/C(=C\c2c([N+](=O)[O-])ccc(F)c2F)N(C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR6 P50406 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30
FPR2 P25090 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
SCHEMBL3026346 1.00 ELANE (0.32) ELANETDP1HTR6ALDH1A1MEN1
SCHEMBL3016999 0.93 LMNA (0.32) HTR6ALDH1A1MEN1LMNAKMT2A
SCHEMBL3016997 0.93 LMNA (0.32) HTR6ALDH1A1MEN1LMNAKMT2A
SCHEMBL3029795 0.90 TDP1 (0.34) ELANETDP1ALDH1A1MEN1LMNA
SCHEMBL3029797 0.90 TDP1 (0.34) ELANETDP1ALDH1A1MEN1LMNA
SCHEMBL3029213 0.88 HTT (0.32) TDP1HTR6ALDH1A1MEN1LMNA
SCHEMBL3029212 0.88 HTT (0.32) TDP1HTR6ALDH1A1MEN1LMNA
SCHEMBL3026542 0.85 TDP1 (0.34) ELANETDP1ALDH1A1LMNAKMT2A
SCHEMBL3026544 0.85 TDP1 (0.34) ELANETDP1ALDH1A1LMNAKMT2A
SCHEMBL3021613 0.84 LMNA (0.36) ALDH1A1MEN1LMNAKMT2A

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
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US 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-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP disclosed
WO-2008152073-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION 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 ELANE 3135/4885TDP1 3613/4885HTR6 3356/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR ELANE 4638/4885TDP1 1489/4885HTR6 2802/4885

“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.