SCHEMBL6428663

SCHEMBL6428663

CC(C)CN(CC(C)C)C(=O)C(C)(C)c1ccc(N)c(NCCCN(C)C)c1.CC(C)CN(CC(C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])c(NCCCN(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
KAT2B Q92831 3/20 0.37
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.35
RAD52 P43351 1/20 0.35
MAPT P10636 3/20 0.34
SIRT5 Q9NXA8 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL3801239 0.95 SMN1; SMN2 (0.44) SMN1; SMN2KAT2BALDH1A1NPSR1KMT2A
SCHEMBL3797761 0.91 GNRHR (0.36) SMN1; SMN2RAD52
SCHEMBL2938027 0.79 HRH3 (0.46) ALDH1A1KMT2AMAPT
SCHEMBL2933683 0.75 ACP1 (0.39) SMN1; SMN2ALDH1A1MAPT
SCHEMBL3794972 0.73 SMN1; SMN2 (0.47) SMN1; SMN2KAT2BALDH1A1NPSR1KMT2A
SCHEMBL2937283 0.72 MAPT (0.44) SMN1; SMN2ALDH1A1NPSR1KMT2AMAPT
SCHEMBL17678158 0.68 SMN1; SMN2 (0.57) SMN1; SMN2KAT2BALDH1A1NPSR1KMT2A
SCHEMBL4743774 0.68 ALDH1A1 (0.67) SMN1; SMN2KAT2BALDH1A1NPSR1KMT2A
SCHEMBL4800824 0.67 KCNH2 (0.42) SMN1; SMN2NPSR1KMT2ARAD52MAPT
SCHEMBL9725555 0.67 MAPT (0.56) SMN1; SMN2ALDH1A1NPSR1KMT2AMAPT

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-20050267147-A1 Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament IPSEN PHARMA S.A.S. (FR) 2005-12-01 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-20050267147-A1 Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament MC4R, MC1R, MC5R SMN1; SMN2 3469/4885KAT2B 1766/4885ALDH1A1 1051/4885

“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.