SCHEMBL954531

SCHEMBL954531

OC(c1cccc(Br)n1)(c1cccc(N(c2ccccc2)c2ccccc2)n1)c1cccc(N(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.30
HPGD P15428 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
SCHEMBL10064916 0.82 ALDH1A1 (0.39) SMN1; SMN2L3MBTL1ALDH1A1TDP1POLB
SCHEMBL954785 0.81 MEN1 (0.43) SMN1; SMN2L3MBTL1ALDH1A1TDP1POLB
SCHEMBL957932 0.80 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL5907732 0.78 ALDH1A1 (0.39) SMN1; SMN2L3MBTL1ALDH1A1TDP1POLB
SCHEMBL1641183 0.77 CFTR (0.40) SMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL954180 0.74 ALDH1A1 (0.36) L3MBTL1ALDH1A1TDP1POLB
SCHEMBL27804806 0.73 S1PR2 (0.35) ALDH1A1TDP1HPGD
SCHEMBL17032805 0.72 ALDH1A1 (0.46) SMN1; SMN2L3MBTL1ALDH1A1TDP1POLB
SCHEMBL1959772 0.70 GRM5 (0.43) SMN1; SMN2L3MBTL1ALDH1A1POLBHPGD
SCHEMBL1960610 0.70 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1

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-8617723-B2 Metal complexes MERCK PATENT GMBH (DE) 2013-12-31 US disclosed
US-20110012100-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-01-20 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-20110012100-A1 METAL COMPLEXES AP1M1, AP3M1, SOD1 SMN1; SMN2 3529/4885L3MBTL1 3656/4885ALDH1A1 1419/4885

“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.