SCHEMBL1818288

SCHEMBL1818288

CN1C(=O)C(C)(Cc2ccccc2)N(C)C(=O)C1=Cc1cccnc1I

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
PIM1 P11309 1/20 0.33
BACE1 P56817 1/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NOX4 Q9NPH5 1/20 0.30
NOX1 Q9Y5S8 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
PIK3CD O00329 1/20 0.30
RIPK1 Q13546 2/20 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
SCHEMBL1818287 1.00 IDH1 (0.34) IDH1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1820895 1.00 IDH1 (0.34) IDH1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1821239 0.87 NOX4 (0.34) IDH1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1818957 0.87 GAA (0.35) IDH1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1818959 0.87 GAA (0.35) IDH1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1824114 0.87 BACE1 (0.37) IDH1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1824112 0.87 BACE1 (0.37) IDH1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1821237 0.87 NOX4 (0.34) IDH1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1942880 0.85 ELANE (0.36) ALDH1A1MAPTHPGDNPSR1LMNA
SCHEMBL1821206 0.85 ELANE (0.36) ALDH1A1MAPTHPGDNPSR1LMNA

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 IDH1 179/4885ALDH1A1 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.