SCHEMBL2458640

SCHEMBL2458640

CC(O)N(c1nc(N2CCCCC2)c2nc(S(=O)(=O)N(C)C)nc(N3CCCCC3)c2n1)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 13/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE2A O00408 1/20 0.41
RGS12 O14924 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCC5 O15440 1/20 0.41
PDE6D O43924 1/20 0.41
PDE8A O60658 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
PDE5A O76074 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2457441 0.92 SLC29A1 (0.40) SLC29A1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2459706 0.91 SLC29A1 (0.41) SLC29A1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL141541 0.84 SLC29A1 (0.54) SLC29A1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3395769 0.84 SLC29A1 (0.54) SLC29A1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2456479 0.82 SLC29A1 (0.43) SLC29A1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2456662 0.81 SLC29A1 (0.38) SLC29A1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15065643 0.78 SLC29A1 (0.48) SLC29A1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2458642 0.77 SLC29A1 (0.46) SLC29A1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7446838 0.77 SLC29A1 (0.47) SLC29A1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2454195 0.77 SLC29A1 (0.39) SLC29A1ALDH1A1MEN1KMT2ASMN1; SMN2

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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF SLC29A1 3650/4885ALDH1A1 3179/4885MEN1 4550/4885

“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.