Sugi Predict

Sugi Predict / Compounds / SCHEMBL3802085

SCHEMBL3802085

SCHEMBL3802085

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ LMNA P02545 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ACHE P22303 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
SCHEMBL3800692 0.92 ALDH1A1 (0.35) TDP1ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL3801876 0.89 ELANE (0.33) ELANETDP1MMP2ALDH1A1LMNA
SCHEMBL3797935 0.88 ALDH1A1 (0.38) TDP1ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL3797577 0.87 XDH (0.33) ELANETDP1MMP2ALDH1A1LMNA
SCHEMBL3796896 0.86 HSD17B10 (0.35) HSD17B10TDP1MMP2ALDH1A1LMNA
SCHEMBL3800988 0.86 ALDH1A1 (0.41) ELANEMMP2ALDH1A1LMNASMN1; SMN2
SCHEMBL3792828 0.85 ELANE (0.33) ELANEMMP2ALDH1A1LMNASMN1; SMN2
SCHEMBL3793891 0.83 LMNA (0.37) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL3802957 0.82 HTR7 (0.32) HSD17B10ELANEALDH1A1TSHRL3MBTL1
SCHEMBL3800986 0.82 TDP1 (0.35) HSD17B10ELANETDP1ALDH1A1LMNA

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-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 — — US claimed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 — — EP claimed
EP-2054394-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 — — EP claimed
WO-2008152072-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 — — WO claimed
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 — — US disclosed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 — — EP disclosed
EP-2054394-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 — — EP disclosed
WO-2008152072-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 (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-20100173777-A1 Piperazine Compounds Having Herbicidal Action CBR3, CBR1, CNPY2 HSD17B10 390/4885ELANE 2590/4885TDP1 4039/4885

“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.