SCHEMBL22068239

SCHEMBL22068239

C#CCNC(=O)NCCCCN

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.52
EPHX1 P07099 6/20 0.45
PRMT1 Q99873 1/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
SLC6A5 Q9Y345 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
EPHX2 P34913 2/20 0.37
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL17373962 0.83 PAOX (0.62) PAOXEPHX1PRMT1GNAI3GNAO1
SCHEMBL17379928 0.83 PAOX (0.62) PAOXEPHX1PRMT1GNAI3GNAO1
SCHEMBL7209810 0.81 PAOX (0.67) PAOXEPHX1PRMT1GNAI3GNAO1
SCHEMBL7210075 0.81 PAOX (0.67) PAOXEPHX1PRMT1GNAI3GNAO1
SCHEMBL7215247 0.81 PAOX (0.67) PAOXEPHX1PRMT1GNAI3GNAO1
SCHEMBL7215969 0.81 PAOX (0.67) PAOXEPHX1PRMT1GNAI3GNAO1
SCHEMBL21695693 0.81 PAOX (0.67) PAOXEPHX1PRMT1GNAI3GNAO1
SCHEMBL12353013 0.81 PAOX (0.67) PAOXEPHX1PRMT1GNAI3GNAO1
SCHEMBL15431680 0.81 PAOX (0.67) PAOXEPHX1PRMT1GNAI3GNAO1
SCHEMBL7215991 0.81 PAOX (0.67) PAOXEPHX1PRMT1GNAI3GNAO1

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-20200179523-A1 A FORMULATION FOR STABILIZING BIO-THERAPEUTICS INDIAN INSTITUTE OF TECHNOLOGY, DELHI (IN) 2020-06-11 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-20200179523-A1 A FORMULATION FOR STABILIZING BIO-THERAPEUTICS DBN1, DBNL, DSTN PAOX 4718/4885EPHX1 2572/4885PRMT1 2503/4885

“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.