SCHEMBL23945280

SCHEMBL23945280

COc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.54
ALDH1A1 P00352 8/20 0.54
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
BLM P54132 2/20 0.54
GAA P10253 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
BRD4 O60885 2/20 0.49
TOP1 P11387 3/20 0.48
TOP2A P11388 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.47
SLCO2B1 O94956 1/20 0.47

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
SCHEMBL14892490 0.87 ALDH1A1 (0.57) SIRT6ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL14669420 0.87 MAPT (0.53) SIRT6ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1552158 0.86 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL1552598 0.85 MAPT (0.54) SIRT6ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3180322 0.83 BRD4 (0.61) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL14892358 0.82 MAPT (0.50) SIRT6ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL14669416 0.82 ALDH1A1 (0.48) SIRT6ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4258177 0.82 NPBWR1 (0.58) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL1551610 0.81 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL5332939 0.81 ALDH1A1 (0.48) SIRT6ALDH1A1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210324198-A1 SILICON-SUBSTITUTED RHODAMINE DYES AND DYE CONJUGATES Life Technologies Corporation 2021-10-21 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-20210324198-A1 SILICON-SUBSTITUTED RHODAMINE DYES AND DYE CONJUGATES SRI, SI, IK SIRT6 155/4885ALDH1A1 1849/4885MAPT 3221/4885

“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.