SCHEMBL10126486

SCHEMBL10126486

Cc1ccc2c(c1)C(NCCCBr)(NCCCBr)c1cc(C)ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
METAP1 P53582 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
SCHEMBL10126524 0.82 PDK2 (0.32) PDK2
SCHEMBL10126537 0.74 CHRM2 (0.38) PDK2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11939297 0.73 MAPT (0.40) PDK2ALDH1A1
SCHEMBL16625772 0.71 PDK2 (0.35) PDK2
SCHEMBL16204111 0.71 PDK2 (0.35) PDK2
SCHEMBL10126484 0.67 BCHE (0.44)
SCHEMBL17830930 0.66 PDK2 (0.31) PDK2ALDH1A1
SCHEMBL15142915 0.65 PDK2 (0.48) PDK2MEN1KMT2AMETAP1
SCHEMBL13107406 0.65 PDK2 (0.48) PDK2MEN1KMT2AMETAP1
SCHEMBL12402041 0.65 PDK2 (0.39) PDK2

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-20120168693-A1 SILVER-(CONJUGATED COMPOUND) COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-09 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-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF CDH1, EPCAM, CD4 PDK2 4282/4885ALDH1A1 932/4885MEN1 8/4885

“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.