Sugi Predict

Sugi Predict / Compounds / SCHEMBL3010856

SCHEMBL3010856

SCHEMBL3010856

CCC1(Cc2ccccc2)C(=O)N(C)C(=Cc2c(C)cccc2[N+](=O)[O-])C(=O)N1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HTRA2 O43464 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ NOD2 Q9HC29 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL3010852 1.00 XDH (0.35) XDHHSD17B10ELANELMNAALDH1A1
SCHEMBL3022497 0.92 ALDH1A1 (0.35) XDHLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL3022495 0.92 ALDH1A1 (0.35) XDHLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL3022085 0.89 XDH (0.35) XDHELANELMNAALDH1A1SMN1; SMN2
SCHEMBL3022083 0.89 XDH (0.35) XDHELANELMNAALDH1A1SMN1; SMN2
SCHEMBL3022233 0.88 XDH (0.40) XDHELANELMNAALDH1A1SMN1; SMN2
SCHEMBL3017938 0.88 ALDH1A1 (0.38) XDHLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL3017936 0.88 ALDH1A1 (0.38) XDHLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL3022235 0.88 XDH (0.40) XDHELANELMNAALDH1A1SMN1; SMN2
SCHEMBL3026337 0.87 XDH (0.37) XDHHSD17B10LMNAALDH1A1SMN1; SMN2

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 8 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-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 — — EP disclosed
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 — — EP disclosed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 — — WO 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 XDH 2478/4885HSD17B10 790/4885ELANE 3135/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR XDH 1655/4885HSD17B10 121/4885ELANE 4638/4885

“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.