SCHEMBL1789526

SCHEMBL1789526

C1=COC(NCc2ccccc2)N=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.37
BACE1 P56817 4/20 0.37
BCHE P06276 3/20 0.37
GRIN2B Q13224 2/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
FUCA1 P04066 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
IDO1 P14902 2/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.34
FYN P06241 1/20 0.34
HRH2 P25021 1/20 0.34
ADRA1B P35368 1/20 0.34
OPRK1 P41145 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP3A4 P08684 2/20 0.33

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
SCHEMBL7564162 0.72 GRIN2B (0.39) ACHEBACE1BCHEGRIN2BKDM1A
SCHEMBL10961749 0.70 TAAR1 (0.34) TDP1SLC6A3
SCHEMBL3478532 0.64 GBA1 (0.34) ALDH1A1
SCHEMBL20863084 0.64 HRH2 (0.47) ACHEBACE1BCHEGRIN2BKDM1A
SCHEMBL2197651 0.61 KDM1A (0.58) ACHEBACE1BCHEGRIN2BKDM1A
SCHEMBL2936924 0.61 KDM1A (0.58) ACHEBACE1BCHEGRIN2BKDM1A
SCHEMBL433970 0.61 GRIN2B (0.69) ACHEBACE1BCHEGRIN2BKMT2A
SCHEMBL2798417 0.61 KDM1A (0.58) ACHEBACE1BCHEGRIN2BKDM1A
SCHEMBL2198525 0.61 KDM1A (0.58) ACHEBACE1BCHEGRIN2BKDM1A
SCHEMBL491107 0.61 KDM1A (0.58) ACHEBACE1BCHEGRIN2BKDM1A

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
US-20110124647-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
EP-2144505-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES Bayer CropScience AG (DE) 2010-01-20 EP disclosed
WO-2008119511-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BAYER CROPSCIENCE AG (DE) 2008-10-09 WO disclosed
EP-1977644-A1 Insecticidal derivatives of substituted benzylamines Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP 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-20110124647-A1 INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES BCHE, PNMT, TMBIM6 ACHE 10/4885BACE1 434/4885BCHE 1/4885

“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.