SCHEMBL12727240

SCHEMBL12727240

CCCCCCCCCCCCCc1nc(N(CCO)CCO)nc(N(CCO)CCO)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 14/20 0.51
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL12727237 1.00 SLC29A1 (0.51) SLC29A1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL12727239 1.00 SLC29A1 (0.51) SLC29A1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL2844589 0.86 SLC29A1 (0.50) SLC29A1ALDH1A1KMT2ATSHR
SCHEMBL2844587 0.85 SLC29A1 (0.57) SLC29A1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL2841760 0.82 SLC29A1 (0.49) SLC29A1ALDH1A1KMT2ATSHR
SCHEMBL2841753 0.81 SLC29A1 (0.57) SLC29A1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL2835529 0.78 SLC29A1 (0.48) SLC29A1KMT2A
SCHEMBL2835526 0.78 SLC29A1 (0.54) SLC29A1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL17817154 0.76 SLC29A1 (0.67) SLC29A1KMT2A
SCHEMBL2838660 0.74 SLC29A1 (0.47) SLC29A1KMT2A

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-20110098363-A1 AMPHIPHILIC MOLECULES WITH A TRIAZINE CORE BASF SE (DE) 2011-04-28 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-20110098363-A1 AMPHIPHILIC MOLECULES WITH A TRIAZINE CORE PAM, ABCB4, PAOX SLC29A1 3588/4885MAPT 4141/4885SMN1; SMN2 4759/4885

“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.