SCHEMBL5406879

SCHEMBL5406879

Cc1nc2c([nH]1)c(=O)[nH]c(=S)n2C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
PDE2A O00408 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 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
SCHEMBL387339 0.81 ALDH1A1 (0.54) ALDH1A1MAPTPDE2APDE1APDE1B
SCHEMBL1959299 0.78 PDE1A (0.58) HPGDALDH1A1MAPTPDE2APDE1A
SCHEMBL12820631 0.77 MAPT (0.46) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL7093373 0.75 CYP2C9 (0.50) HPGDALDH1A1PDE2APDE1APDE1B
SCHEMBL515533 0.75 CYP3A4 (0.62) HPGDALDH1A1MAPTPDE2APDE1A
SCHEMBL516430 0.71 PDE2A (0.44) HPGDALDH1A1MAPTPDE2APDE1A
SCHEMBL461786 0.70 PDE2A (0.62) ALDH1A1PDE2APDE1APDE1BPDE1C
Water SCHEMBL28799658 0.69 PDE2A (0.60) ALDH1A1PDE2APDE1APDE1BPDE1C
SCHEMBL4621727 0.68 PDE2A (0.51) HPGDALDH1A1PDE2APDE1APDE1B
SCHEMBL6458349 0.68 PDE2A (0.38) HPGDALDH1A1PDE2APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3217985-B1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY UNIV VALENCIA (ES) 2018-09-12 EP claimed
EP-3217984-B1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 UNIV VALENCIA (ES) 2018-09-12 EP claimed
US-20170312285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY SELABTEC SCIENCES, SL (ES) 2017-11-02 US claimed
US-20170304309-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S.A. (ES) 2017-10-26 US claimed
EP-3217985-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY Universitat de València (ES) 2017-09-20 EP claimed
EP-3217984-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 Universitat de València (ES) 2017-09-20 EP claimed
WO-2016075288-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 UNIVERSITAT DE VALÈNCIA (ES) 2016-05-19 WO claimed
WO-2016075285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY UNIVERSITAT DE VALÈNCIA (ES) 2016-05-19 WO claimed
EP-3020403-A1 Compounds for the treatment of myotonic dystrophy Universitat de Valéncia (ES) 2016-05-18 EP claimed
EP-3020404-A1 Caffeine for the treatment of myotonic dystrophy type 1 and type 2 Universitat de Valéncia (ES) 2016-05-18 EP claimed
US-20050148067-A1 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2005-07-07 US claimed
US-6855817-B2 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2005-02-15 US claimed
EP-1305328-A2 MATERIALS AND METHODS FOR BINDING NUCLEIC ACIDS TO SURFACES Lyles, Mark B. (US) 2003-05-02 EP claimed
US-20020103350-A1 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2002-08-01 US claimed
WO-2002008237-A2 MATERIALS AND METHODS FOR BINDING NUCLEIC ACIDS TO SURFACES LYLES MARK B (US) 2002-01-31 WO claimed
US-10226467-B2 Compounds for the treatment of myotonic dystrophy UNIVERSITAT DE VALENCIA (ES) 2019-03-12 US disclosed
EP-3217984-B1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 UNIV VALENCIA (ES) 2018-09-12 EP disclosed
WO-2001093831-A2 LOW CARBOHYDRATE COMPOSITIONS, KITS THEREOF, AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093847-A2 COMPOSITIONS, KITS, AND METHODS FOR PROMOTING DEFINED HEALTH BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001005253-A1 COMPOSITIONS, KITS, AND METHODS FOR PROVIDING AND MAINTAINING ENERGY AND MENTAL ALERTNESS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 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 (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-20170304309-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 SMN1; SMN2, TDP2, MTPN HPGD 2785/4885ALDH1A1 1067/4885MAPT 161/4885
US-20170312285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY SMN1; SMN2, CPT1B, MTPN HPGD 1516/4885ALDH1A1 647/4885MAPT 226/4885
US-10226467-B2 Compounds for the treatment of myotonic dystrophy SMN1; SMN2, CPT1B, MTPN HPGD 1516/4885ALDH1A1 647/4885MAPT 226/4885

“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.