SCHEMBL3802083

SCHEMBL3802083

C=Cc1cccc([N+](=O)[O-])c1CC1C(=O)N(C)C(C)(Cc2ccc(F)cc2)C(=O)N1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 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
SCHEMBL3799400 0.92 XDH (0.36) XDHLMNAALDH1A1KMT2AMAPT
SCHEMBL3010865 0.88 LMNA (0.36) LMNAALDH1A1KMT2AMAPTKDM4E
SCHEMBL3802091 0.88 LMNA (0.34) XDHLMNAALDH1A1KMT2AMAPT
SCHEMBL3797892 0.87 ALDH1A1 (0.36) LMNAALDH1A1KMT2AMAPTMAPK1
SCHEMBL3022412 0.85 TDP2 (0.35) LMNAALDH1A1KMT2AMAPTHTT
SCHEMBL3802447 0.84 LMNA (0.32) XDHLMNAALDH1A1KMT2AMAPT
SCHEMBL3799974 0.84 AR (0.31)
SCHEMBL3017584 0.82 TXNRD1 (0.33) LMNAALDH1A1KMT2A
SCHEMBL3027934 0.82 ALDH1A1 (0.41) LMNAALDH1A1KMT2AMAPTKDM4E
SCHEMBL3029327 0.81 MMP2 (0.34) LMNAALDH1A1KMT2AMAPTKDM4E

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 XDH 2840/4885LMNA 1108/4885ALDH1A1 1174/4885

“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.