SCHEMBL1824112

SCHEMBL1824112

CN1C(=O)C(C)(Cc2ccccc2)N(C)C(=O)/C1=C\c1cccnc1N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.37
ALDH1A1 P00352 2/20 0.33
AMY1A P0DUB6 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
LTA4H P09960 1/20 0.33
MAPK14 Q16539 1/20 0.33
ELANE P08246 1/20 0.33
IDH1 O75874 1/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
REN P00797 1/20 0.32
APP P05067 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PIM1 P11309 1/20 0.31
NOX4 Q9NPH5 1/20 0.30
NOX1 Q9Y5S8 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
SCHEMBL1824114 1.00 BACE1 (0.37) BACE1ALDH1A1AMY1AMAPTHPGD
SCHEMBL1820895 0.87 IDH1 (0.34) BACE1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1818288 0.87 IDH1 (0.34) BACE1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1818287 0.87 IDH1 (0.34) BACE1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1821237 0.87 NOX4 (0.34) BACE1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1821239 0.87 NOX4 (0.34) BACE1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1818957 0.87 GAA (0.35) BACE1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1818959 0.87 GAA (0.35) BACE1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1823605 0.84 RIPK1 (0.34) BACE1ALDH1A1MAPTHPGDNPSR1
SCHEMBL1822946 0.84 RIPK1 (0.34) BACE1ALDH1A1MAPTHPGDNPSR1

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 BACE1 2840/4885ALDH1A1 71/4885AMY1A 3277/4885

“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.