Sugi Predict

Sugi Predict / Compounds / SCHEMBL3797935

SCHEMBL3797935

SCHEMBL3797935

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ GPR55 Q9Y2T6 2/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HTT P42858 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TACR1 P25103 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ TXNRD1 Q16881 1/20 0.33
▸ ABCB1 P08183 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL3796588 0.93 TXNRD1 (0.35) ALDH1A1TDP1NPSR1GPR55L3MBTL1
SCHEMBL3802085 0.88 HSD17B10 (0.34) ALDH1A1TDP1NPSR1GPR55L3MBTL1
SCHEMBL3801876 0.87 ELANE (0.33) ALDH1A1TDP1NPSR1GPR55HTT
SCHEMBL3017899 0.87 ALDH1A1 (0.39) ALDH1A1TDP1NPSR1GPR55HTR1A
SCHEMBL3797577 0.84 XDH (0.33) ALDH1A1TDP1NPSR1GPR55L3MBTL1
SCHEMBL3795636 0.84 ACHE (0.35) ALDH1A1NPSR1LMNAPKM
SCHEMBL3800988 0.83 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2
SCHEMBL3793891 0.82 LMNA (0.37) ALDH1A1L3MBTL1LMNAMAPTTXNRD1
SCHEMBL3792828 0.82 ELANE (0.33) ALDH1A1NPSR1HTTLMNAMAPT
SCHEMBL3026819 0.82 ALDH1A1 (0.46) ALDH1A1TDP1HTR1AADRA1DADRA1A

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 ALDH1A1 1174/4885TDP1 4039/4885NPSR1 594/4885

“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.