SCHEMBL12243286

SCHEMBL12243286

COC(=O)[C@@H](N)Cn1cccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LTA4H P09960 3/20 0.36
KIF11 P52732 1/20 0.35
CYP26A1 O43174 1/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
TYR P14679 1/20 0.33
DOHH Q9BU89 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL29586073 0.78 ALDH1A1 (0.39) ALDH1A1LTA4HCYP26A1KMT2AMEN1
SCHEMBL28401270 0.78 ALDH1A1 (0.39) ALDH1A1LTA4HCYP26A1KMT2AMEN1
SCHEMBL21946554 0.78 CYP26A1 (0.53) ALDH1A1CYP26A1KDM4E
SCHEMBL5225713 0.78 FDPS (0.46) ALDH1A1CYP26A1KMT2AMEN1
Hydrochloric Acid SCHEMBL21879108 0.76 CYP26A1 (0.52) ALDH1A1CYP26A1KDM4E
Hydrochloric Acid SCHEMBL18342699 0.76 FDPS (0.45) CYP26A1KMT2AMEN1
SCHEMBL5301611 0.75 KDM4E (0.51) ALDH1A1KMT2AMEN1TYRDOHH
SCHEMBL11776470 0.69 SMN1; SMN2 (0.42) ALDH1A1LTA4HKIF11
SCHEMBL8894673 0.69 SMN1; SMN2 (0.42) ALDH1A1LTA4HKIF11
SCHEMBL8387746 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US disclosed
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US disclosed
WO-2010058353-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-27 WO 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 ALDH1A1 3251/4885LTA4H 2808/4885KIF11 3375/4885

“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.