SCHEMBL1821206

SCHEMBL1821206

CN1C(=O)C(C)(Cc2ccccc2)N(C)C(=O)C1=Cc1ccccc1I

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PIM1 P11309 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BACE1 P56817 1/20 0.33
LMNA P02545 1/20 0.33
NOX4 Q9NPH5 4/20 0.33
NOX1 Q9Y5S8 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
OPRM1 P35372 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
DYRK2 Q92630 1/20 0.30
CYBB P04839 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
SCHEMBL1942880 1.00 ELANE (0.36) ELANEALDH1A1MAPTHPGDPIM1
SCHEMBL3021401 0.85 MEN1 (0.38) ELANEALDH1A1MAPTHPGDPIM1
SCHEMBL3021404 0.85 MEN1 (0.38) ELANEALDH1A1MAPTHPGDPIM1
SCHEMBL1818288 0.85 IDH1 (0.34) ELANEALDH1A1MAPTHPGDPIM1
SCHEMBL1818287 0.85 IDH1 (0.34) ELANEALDH1A1MAPTHPGDPIM1
SCHEMBL1820895 0.85 IDH1 (0.34) ELANEALDH1A1MAPTHPGDPIM1
SCHEMBL3025069 0.82 XDH (0.51) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL3024543 0.82 HDAC1 (0.35) ELANEALDH1A1MAPTHPGDPIM1
SCHEMBL3024546 0.82 HDAC1 (0.35) ELANEALDH1A1MAPTHPGDPIM1
SCHEMBL3025073 0.82 XDH (0.51) ALDH1A1MAPTNPSR1LMNAMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315760-B1 PIPERAZINE COMPOUNDS WITH HERBICIDAL EFFECT BASF SE (DE) 2013-03-06 EP disclosed
US-20110130286-A1 Piperazine Compounds with Herbicidal Effect BASF SE (DE) 2011-06-02 US disclosed
EP-2315760-A1 PIPERAZINE COMPOUNDS WITH HERBICIDAL EFFECT BASF SE (DE) 2011-05-04 EP disclosed
WO-2010012649-A1 PIPERAZINE COMPOUNDS WITH HERBICIDAL EFFECT BASF SE (DE) 2010-02-04 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-20110130286-A1 Piperazine Compounds with Herbicidal Effect CAT, DDT, CIP2A ELANE 4540/4885ALDH1A1 71/4885MAPT 2873/4885

“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.