SCHEMBL22299306

SCHEMBL22299306

CCCCCC(C)c1ccnc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
KCNB1 Q14721 1/20 0.37
AAK1 Q2M2I8 2/20 0.36
PDE4D Q08499 1/20 0.34
IDO1 P14902 2/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
SLC2A1 P11166 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
ACACB O00763 1/20 0.33
POLB P06746 1/20 0.33
PFKFB3 Q16875 1/20 0.32
ROCK2 O75116 1/20 0.32
HTR1A P08908 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
SCHEMBL22363297 0.89 LOX (0.45) LOXLOXL2KCNB1AAK1PDE4D
SCHEMBL19866339 0.85 LOX (0.41) LOXLOXL2KCNB1AAK1PDE4D
SCHEMBL20705814 0.85 LOX (0.41) LOXLOXL2KCNB1AAK1PDE4D
SCHEMBL805096 0.82 LOX (0.47) LOXLOXL2KCNB1AAK1IDO1
SCHEMBL5495738 0.81 GPR84 (0.36) KDM4EHPGDSLC2A1GPR84
SCHEMBL5973792 0.80 GPR84 (0.38) KDM4EHPGDSLC2A1GPR84
SCHEMBL22298879 0.80 UHRF1 (0.38) KDM4EHPGDSLC2A1GPR84
SCHEMBL19003475 0.79 LOX (0.41) LOXLOXL2KCNB1AAK1PDE4D
SCHEMBL22299535 0.79 LOX (0.41) LOXLOXL2KCNB1AAK1PDE4D
SCHEMBL22299579 0.78 LOXL2 (0.36) LOXL2KDM4EHPGDSLC2A1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 US 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 (2 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-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF MAPK1, MAPK11, MAPK14 LOX 2138/4885LOXL2 2570/4885KCNB1 2696/4885
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR LOX 692/4885LOXL2 478/4885KCNB1 1831/4885

“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.