Sugi Predict

Sugi Predict / Compounds / SCHEMBL4884765

SCHEMBL4884765

SCHEMBL4884765

CCCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 5/20 0.81
▸ DNMT3B Q9UBC3 3/20 0.81
▸ PRMT7 Q9NVM4 3/20 0.81
▸ PNMT P11086 2/20 0.78
▸ DNMT1 P26358 2/20 0.78
▸ EHMT1 Q9H9B1 2/20 0.76
▸ PRMT5 O14744 3/20 0.73
▸ AHCY P23526 3/20 0.72
▸ NADK O95544 1/20 0.72
▸ EZH2 Q15910 3/20 0.70
▸ WDR77 Q9BQA1 2/20 0.70
▸ CARM1 Q86X55 2/20 0.69
▸ EHMT2 Q96KQ7 2/20 0.69
▸ TRDMT1 O14717 1/20 0.69
▸ SUV39H1 O43463 1/20 0.69
▸ PRMT3 O60678 1/20 0.69
▸ INMT O95050 1/20 0.69
▸ NSD2 O96028 1/20 0.69
▸ NNMT P40261 1/20 0.69
▸ HNMT P50135 1/20 0.69

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
SCHEMBL6897966 0.97 DOT1L (0.83) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL30216716 0.97 DOT1L (0.83) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL2829515 0.93 DOT1L (0.82) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL2829520 0.93 DOT1L (0.82) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL21067650 0.90 DOT1L (0.71) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL10665713 0.90 DOT1L (1.00) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL1398379 0.90 DOT1L (1.00) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL6904158 0.90 DOT1L (0.85) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL14174636 0.90 DOT1L (1.00) DOT1LDNMT3BPRMT7PNMTDNMT1
SCHEMBL27092944 0.90 DOT1L (0.85) DOT1LDNMT3BPRMT7PNMTDNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348315-B2 Methods of treating heart failure with modified ATP, ADP and AMP compounds THE UNIVERSITY OF CONNECTICUT (US) 2008-03-25 — — US disclosed
US-20030186929-A1 Methods of treating heart failure with modified ATP, ADP and AMP compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-10-02 — — US disclosed
US-6255292-B1 INCREASING CELLULAR CONTRACTIONS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-07-03 — — US disclosed
US-5712258-A Inotropic ADP and ATP analogues and their pharmaceutical compositions THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-01-27 — — US disclosed
WO-1996029345-A1 NOVEL INOTROPIC AGENTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-09-26 — — 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 (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-20030186929-A1 Methods of treating heart failure with modified ATP, ADP and AMP compounds ATP5MF, ATP5MG, ATP2A1 DOT1L 2889/4885DNMT3B 2452/4885PRMT7 2397/4885

“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.