Sugi Predict

Sugi Predict / Compounds / SCHEMBL16730591

SCHEMBL16730591

SCHEMBL16730591

CN(CCCCN(C)CCCNCCO)CCCNCCO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.43
▸ PAOX Q6QHF9 2/20 0.39
▸ CHRM2 P08172 3/20 0.39
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ S1PR2 O95136 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32

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
SCHEMBL9597791 0.93 TDP1 (0.41) TDP1PAOXCHRM2CYP2C9CYP2C19
SCHEMBL5911036 0.87 TDP1 (0.44) TDP1PAOXCHRM2CYP2C9CYP2C19
SCHEMBL11067996 0.87 TDP1 (0.57) TDP1PAOXCHRM2CYP2C9CYP2C19
SCHEMBL31325349 0.86 PAOX (0.46) TDP1PAOXCHRM2CYP2C9CYP2C19
SCHEMBL19966296 0.86 TDP1 (0.40) TDP1PAOXCHRM2CYP2C9CYP2C19
Diethanolamine SCHEMBL27473413 0.84 MAPT (0.43) TDP1PAOXCYP2C9CYP2C19MAPT
SCHEMBL17493166 0.83 TDP1 (0.58) TDP1PAOXCYP2C9CYP2C19TP53
SCHEMBL141928 0.82 TDP1 (0.62) TDP1PAOXCYP2C9CYP2C19TP53
SCHEMBL18118890 0.80 PAOX (0.33) TDP1PAOXCHRM2ALDH1A1
SCHEMBL8940846 0.80 MAPT (0.39) TDP1PAOXCYP2C9CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738005-B2 Aziridinyl containing compounds and methods of inactivating nucleic acid molecules using the same ZATA PHARMACEUTICALS, INC. (US) 2020-08-11 — — US disclosed
US-20190106386-A1 AZIRIDINYL CONTAINING COMPOUNDS AND METHODS OF INACTIVATING NUCLEIC ACID MOLECULES USING THE SAME NEW YORK BLOOD CENTER, INC. 2019-04-11 — — US disclosed
US-20160289182-A1 AZIRIDINYL CONTAINING COMPOUNDS AND METHODS OF INACTIVATING NUCLEIC ACID MOLECULES USING THE SAME NEW YORK BLOOD CENTER, INC. 2016-10-06 — — US disclosed
WO-2015073622-A1 AZIRIDINYL CONTAINING COMPOUNDS AND METHODS OF INACTIVATING NUCLEIC ACID MOLECULES COMPRISING THE SAME ZATA PHARMACEUTICALS, INC. (US) 2015-05-21 — — 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 (3 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-20190106386-A1 AZIRIDINYL CONTAINING COMPOUNDS AND METHODS OF INACTIVATING NUCLEIC ACID MOLECULES USING THE SAME ADAR, NSUN2, RNMT TDP1 486/4885PAOX 3355/4885CHRM2 4873/4885
US-10738005-B2 Aziridinyl containing compounds and methods of inactivating nucleic acid molecules using the same ADAR, NSUN2, RNMT TDP1 486/4885PAOX 3355/4885CHRM2 4873/4885
US-20160289182-A1 AZIRIDINYL CONTAINING COMPOUNDS AND METHODS OF INACTIVATING NUCLEIC ACID MOLECULES USING THE SAME ADAR, NSUN2, RNMT TDP1 486/4885PAOX 3355/4885CHRM2 4873/4885

“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.