Sugi Predict

Sugi Predict / Compounds / SCHEMBL6881902

SCHEMBL6881902

SCHEMBL6881902

Cc1cnc(-c2c[nH]c(=O)[nH]c2=O)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DPYD Q12882 4/20 0.35
▸ GAA P10253 1/20 0.35
▸ NT5E P21589 2/20 0.34
▸ ROCK1 Q13464 5/20 0.34
▸ CDC42BPB Q9Y5S2 5/20 0.34
▸ NOS1 P29475 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
SCHEMBL7254392 0.89 ATAD2 (0.35) ATAD2ALDH1A1LMNAMAPTCYP19A1
SCHEMBL2744981 0.75 ATAD2 (0.44) ATAD2ALDH1A1LMNAMAPTCYP19A1
SCHEMBL2745075 0.74 ATAD2 (0.43) ATAD2ALDH1A1LMNAMAPTCYP19A1
SCHEMBL30709633 0.73 ALDH1A1 (0.47) ATAD2ALDH1A1LMNAMAPTCYP19A1
SCHEMBL2745632 0.72 ATAD2 (0.44) ATAD2ALDH1A1LMNAMAPTCYP19A1
SCHEMBL6890297 0.72 NOS1 (0.38) ROCK1CDC42BPBNOS1
SCHEMBL2745628 0.70 ATAD2 (0.46) ATAD2ALDH1A1LMNAMAPTCYP19A1
SCHEMBL3219893 0.70 ALDH1A1 (0.43) ATAD2ALDH1A1LMNAMAPTCYP19A1
SCHEMBL5801644 0.70 ALDH1A1 (0.64) ATAD2ALDH1A1LMNAMAPTCYP19A1
SCHEMBL9958708 0.69 ALDH1A1 (0.42) ATAD2ALDH1A1LMNAMAPTCYP19A1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653248-B2 2-aminopyridine and 2-pyridone C-nucleosides ISIS PHARMACEUTICALS, INC. (US) 2014-02-18 — — US disclosed
EP-0869937-A4 NOVEL AMIDE-BASED CATIONIC LIPIDS PROMEGA BIOSCIENCES INC (US) 2004-07-21 — — EP disclosed
US-6670393-B2 For delivery of macromolecules into cells PROMEGA BIOSCIENCES, INC. 2003-12-30 — — US disclosed
US-6638529-B2 Lipid copound for use in the transfer macromolecules in cells GENTA INCORPORATED 2003-10-28 — — US disclosed
US-6610664-B2 Amides and chemical intermediates used for lipofection of nucleic acids or peptides into prokaryotic or eukaryotic cells; drug delivery ISIS PHARMACEUTICALS, INC. 2003-08-26 — — US disclosed
US-20030120065-A1 2-aminopyridine and 2-pyridone C-nucleosides ISIS PHARMACEUTICALS, INC. 2003-06-26 — — US disclosed
US-20030097011-A1 Novel carbamate-based cationic lipids PROMEGA BIOSCIENCES, INC. (US) 2003-05-22 — — US disclosed
US-20030069392-A1 Cationic lipids LIN KUEI-YING (US) 2003-04-10 — — US disclosed
US-6495672-B1 DIAGNOSIS AND SEPARATION THROUGH TRIPLEX BINDING ISIS PHARMACEUTICALS, INC. 2002-12-17 — — US disclosed
US-20020156237-A1 Novel amide-based cationic lipids PROMEGA BIOSCIENCES, INC. 2002-10-24 — — US disclosed
EP-0830368-A1 NOVEL CARBAMATE-BASED CATIONIC LIPIDS GENTA INCORPORATED (US) 1998-03-25 — — EP disclosed
US-5705693-A LIPIDS WITH CATIONS FOR GENETIC ENGINEERING, FORMING PEPTIDES INTO PROKAROTIC OR EUKAROTIC CELLS GILEAD SCIENCES, INC. (US) 1998-01-06 — — US disclosed
WO-1997049723-A1 CATIONIC LIPIDS FOR DELIVERY OF NUCLEIC ACID TO CELLS GILEAD SCIENCES, INC. (US) 1997-12-31 — — WO disclosed
WO-1997003939-A9 NOVEL AMIDE-BASED CATIONIC LIPIDS — 1997-05-22 — — WO disclosed
WO-1996040726-A9 NOVEL CARBAMATE-BASED CATIONIC LIPIDS — 1997-02-06 — — WO disclosed
WO-1997003939-A1 NOVEL AMIDE-BASED CATIONIC LIPIDS GENTA INCORPORATED (US) 1997-02-06 — — WO disclosed
WO-1996040725-A1 PHOSPHONIC ACID-BASED CATIONIC LIPIDS GENTA INCORPORATED (US) 1996-12-19 — — WO disclosed
WO-1996040726-A1 NOVEL CARBAMATE-BASED CATIONIC LIPIDS GENTA INCORPORATED (US) 1996-12-19 — — WO disclosed
WO-1996001841-A1 CATIONIC LIPIDS FOR DELIVERY OF NUCLEIC ACIDS TO CELLS GILEAD SCIENCES, INC. (US) 1996-01-25 — — WO disclosed
WO-1996001840-A1 CATIONIC LIPIDS FOR DELIVERY OF NUCLEIC ACIDS TO CELLS GILEAD SCIENCES, INC. (US) 1996-01-25 — — 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 (4 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-20030069392-A1 Cationic lipids PHOSPHO1, CETP, PCTP ATAD2 2229/4885ALDH1A1 4839/4885LMNA 827/4885
US-20030120065-A1 2-aminopyridine and 2-pyridone C-nucleosides NT5C2, NT5C3B, TYMP ATAD2 344/4885ALDH1A1 1852/4885LMNA 307/4885
US-20030097011-A1 Novel carbamate-based cationic lipids SGMS1, CETP, PCYT1A ATAD2 2291/4885ALDH1A1 4836/4885LMNA 576/4885
US-20020156237-A1 Novel amide-based cationic lipids CETP, SGMS1, CERT1 ATAD2 1844/4885ALDH1A1 4736/4885LMNA 895/4885

“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.