Sugi Predict

Sugi Predict / Compounds / SCHEMBL16888574

SCHEMBL16888574

SCHEMBL16888574

CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)NCCCC(=O)Nc7cn(C)c(C(=O)Nc8cn(C)c(C(=O)Nc9cc(C(=O)NCCC(=O)Nc%10cn(C)c(C(=O)Nc%11cc(C(=O)Nc%12cn(C)c(C(=O)NCCC(=O)NCCCN(C)C)n%12)n(C)c%11)n%10)n(C)c9)n8)n7)n(C)c6)n(C)c5)n4)n(C)c3)n(C)c2)n(C)c1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.82
▸ HDAC2 Q92769 2/20 0.82
▸ HDAC8 Q9BY41 2/20 0.82
▸ EP300 Q09472 4/20 0.52
▸ ERBB2 P04626 2/20 0.44
▸ TOP1 P11387 2/20 0.40
▸ HRAS P01112 3/20 0.40
▸ ESR1 P03372 3/20 0.40
▸ ESR2 Q92731 3/20 0.40
▸ PRKCA P17252 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ NR3C1 P04150 4/20 0.37

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
SCHEMBL805243 1.00 HDAC1 (0.82) HDAC1HDAC2HDAC8EP300ERBB2
SCHEMBL805241 1.00 HDAC1 (0.82) HDAC1HDAC2HDAC8EP300ERBB2
SCHEMBL805264 0.99 HDAC1 (0.81) HDAC1HDAC2HDAC8EP300ERBB2
SCHEMBL805278 0.99 HDAC1 (0.81) HDAC1HDAC2HDAC8EP300ERBB2
SCHEMBL13774347 0.99 HDAC1 (0.81) HDAC1HDAC2HDAC8EP300ERBB2
SCHEMBL805239 0.99 HDAC1 (0.81) HDAC1HDAC2HDAC8EP300ERBB2
SCHEMBL805263 0.98 HDAC1 (0.82) HDAC1HDAC2HDAC8EP300ERBB2
SCHEMBL24549898 0.98 HDAC1 (0.81) HDAC1HDAC2HDAC8EP300ERBB2
SCHEMBL805244 0.98 HDAC1 (0.81) HDAC1HDAC2HDAC8EP300ERBB2
SCHEMBL805245 0.98 HDAC1 (0.81) HDAC1HDAC2HDAC8EP300ERBB2

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-10357478-B2 Polyamide compound and pharmaceutical composition for treating mitochondrial genetic diseases TRIPLEX THERAPEUTICS INC. (JP) 2019-07-23 — — US disclosed
US-20170071912-A1 Polyamide Compound and Pharmaceutical Composition for Treating Mitochondrial Genetic Diseases TRIPLEX THERAPEUTICS INC. (JP) 2017-03-16 — — US disclosed
US-9518152-B2 Polyamide compound and pharmaceutical composition for treating mitochondrial genetic disease Yano, Takamitsu (JP) 2016-12-13 — — US disclosed
US-20150191571-A1 POLYAMIDE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATING MITOCHONDRIAL GENETIC DISEASE KNC LABORATORIES CO., LTD. (JP) 2015-07-09 — — 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 (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-20150191571-A1 POLYAMIDE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATING MITOCHONDRIAL GENETIC DISEASE POLRMT, TFAM, MT-ATP8 HDAC1 2733/4885HDAC2 3191/4885HDAC8 1127/4885
US-10357478-B2 Polyamide compound and pharmaceutical composition for treating mitochondrial genetic diseases POLRMT, TFAM, MT-ATP8 HDAC1 2694/4885HDAC2 3102/4885HDAC8 1020/4885
US-20170071912-A1 Polyamide Compound and Pharmaceutical Composition for Treating Mitochondrial Genetic Diseases POLRMT, TFAM, MT-ATP8 HDAC1 2694/4885HDAC2 3102/4885HDAC8 1020/4885

“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.