SCHEMBL16504256

SCHEMBL16504256

NCCNCCNCCN1CCN(CCO)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.76
LMNA P02545 3/20 0.44
CA12 O43570 3/20 0.44
CA6 P23280 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CA2 P00918 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA5A P35218 2/20 0.44
CA1 P00915 1/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL16920221 0.90 ACE2 (0.79) ACE2LMNACA12CA6CA7
SCHEMBL2570372 0.89 ACE2 (0.95) ACE2LMNACA12CA6CA7
SCHEMBL12921297 0.87 ACE2 (1.00) ACE2LMNACA12CA6CA7
SCHEMBL1690928 0.87
SCHEMBL16075889 0.85 ACE2 (0.52) ACE2LMNAALDH1A1TP53KDM4E
SCHEMBL22025304 0.85 ACE2 (0.86) ACE2LMNACA12CA6CA7
SCHEMBL30066712 0.85 ACE2 (0.86) ACE2LMNACA12CA6CA7
SCHEMBL16078964 0.84 ACE2 (0.63) ACE2LMNACA12CA6CA7
SCHEMBL601212 0.83 ACE2 (0.91) ACE2LMNACA12CA6CA7
SCHEMBL14980582 0.82 ACE2 (0.79) ACE2LMNACA12CA6CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969353-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-03-03 US disclosed
US-20110293703-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-12-01 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-20110293703-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT ACE2 1076/4885LMNA 314/4885CA12 4669/4885

“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.