SCHEMBL863234

SCHEMBL863234

Brc1ccc(-c2ccc(-c3ccccn3)nc2-c2ccc3c(c2)C2(C4=C(CCC=C4)c4ccccc42)c2cc(Br)ccc2-3)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
PADI1 Q9ULC6 1/20 0.31
PADI3 Q9ULW8 1/20 0.31
PADI4 Q9UM07 1/20 0.31
PADI2 Q9Y2J8 1/20 0.31

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
SCHEMBL834602 0.85 PDK2 (0.41) PDK2PADI1PADI3PADI4PADI2
SCHEMBL834990 0.82 PDK2 (0.42) PDK2PADI1PADI3PADI4PADI2
SCHEMBL834601 0.81 PDK2 (0.41) PDK2PADI1PADI3PADI4PADI2
SCHEMBL23712122 0.81 PDK2 (0.39) PDK2
SCHEMBL863245 0.80
SCHEMBL19257509 0.80 PDK2 (0.40) PDK2
SCHEMBL16371515 0.80 PDK2 (0.40) PDK2
SCHEMBL835348 0.78 PDK2 (0.36) PDK2PADI1PADI3PADI4PADI2
SCHEMBL835505 0.76 PDK2 (0.37) PDK2PADI1PADI3PADI4PADI2
SCHEMBL835296 0.75 PDK2 (0.36) PDK2PADI1PADI3PADI4PADI2

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-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 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 (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-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative XDH, CYP2C9, CYP4X1 PDK2 214/4885PADI1 1880/4885PADI3 3834/4885

“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.