SCHEMBL328871

SCHEMBL328871

COc1cc(OC)c(OC)cc1Cc1cnc(N)nc1N

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.72
P2RX2 Q9UBL9 3/20 0.72
DHFR P00374 2/20 0.68
HTT P42858 1/20 0.68
MEN1 O00255 1/20 0.65
SLC22A1 O15245 1/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP3A4 P08684 1/20 0.65
TSHR P16473 1/20 0.65
NFKB1 P19838 1/20 0.65
CYP2C19 P33261 1/20 0.65
BLM P54132 1/20 0.65
KMT2A Q03164 1/20 0.65
HSD17B10 Q99714 1/20 0.65

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
SCHEMBL11555328 0.94 P2RX3 (0.81) P2RX3P2RX2DHFRHTTMEN1
SCHEMBL11559756 0.91 P2RX3 (0.65) P2RX3P2RX2DHFRHTTMEN1
SCHEMBL1494157 0.88 P2RX3 (0.73) P2RX3P2RX2DHFRHTTMEN1
Ormetoprim SCHEMBL93810 0.88 P2RX3 (0.69) P2RX3P2RX2DHFRHTTMEN1
Ormetoprim SCHEMBL29389444 0.88 P2RX3 (0.69) P2RX3P2RX2DHFRHTTMEN1
SCHEMBL30215873 0.88 P2RX3 (0.73) P2RX3P2RX2DHFRHTTMEN1
SCHEMBL2150300 0.87 P2RX3 (0.67) P2RX3P2RX2DHFRHTTMEN1
SCHEMBL2150191 0.85 P2RX3 (0.70) P2RX3P2RX2DHFRHTTMEN1
SCHEMBL1494010 0.84 P2RX3 (1.00) P2RX3P2RX2DHFRHTTMEN1
SCHEMBL30215812 0.84 P2RX3 (1.00) P2RX3P2RX2DHFRHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211185-B1 ADMINISTERING ORALLY WITH DRINKING WATER VETERINARY PHARMACY CORPORATION 2001-04-03 US claimed
US-8231375-B2 Process and apparatus for continuous wet granulation of powder material UNIVERSITEIT GENT (BE) 2012-07-31 US disclosed
EP-2407156-A2 Aqueous coacervate compositions suitable for making powders and water-soluble formulations of biologically-active agents Universiteit Gent (BE) 2012-01-18 EP disclosed
US-20110294864-A1 AQUEOUS COACERVATE COMPOSITIONS SUITABLE FOR MAKING POWDERS AND WATER-SOLUBLE FORMULATIONS OF BIOLOGICALLY-ACTIVE AGENTS UNIVERSITEIT GENT (BE) 2011-12-01 US disclosed
EP-2376061-A1 AQUEOUS COACERVATE COMPOSITION COMPRISING POORLY WATER-SOLUBLE BIOLOGICALLY-ACTIVE AGENTS Universiteit Gent (BE) 2011-10-19 EP disclosed
US-20110060020-A9 PROCESS FOR RELEASE OF BIOLOGICALLY ACTIVE SPECIES KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2011-03-10 US disclosed
WO-2010081815-A1 AQUEOUS COACERVATE COMPOSITION COMPRISING POORLY WATER-SOLUBLE BIOLOGICALLY-ACTIVE AGENTS UNIVERSITEIT GENT (BE) 2010-07-22 WO disclosed
US-20090326078-A1 PROCESS FOR PREPARING A SOLID DOSAGE FORM UNIVERSITEIT GENT (BE) 2009-12-31 US disclosed
US-20090318519-A2 PROCESS FOR RELEASE OF BIOLOGICALLY ACTIVE SPECIES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-12-24 US disclosed
EP-2034965-A2 PROCESS FOR PREPARING A SOLID DOSAGE FORM UNIVERSITEIT GENT (BE) 2009-03-18 EP disclosed
WO-2003053470-A2 PULSED BIO-AGENT DELIVERY SYSTEMS BASED ON DEGRADABLE POLYMER SOLUTIONS OR HYDROGELS UNIVERSITEIT GENT (BE) 2003-07-03 WO disclosed
US-20020183287-A1 Method of producing a concentrate comprising a sulfonamide in solution, a 2,4-diaminopyrimidine in stable suspension within said solution STROBEL MICHAEL A (US) 2002-12-05 US disclosed
US-6410543-B1 MICROBIOCIDES; MIXTURE OF ANTIOXIDANT, SWEETENER AND FLAVOR PHARMACEUTICAL SOLUTIONS, INC. 2002-06-25 US disclosed
EP-0416722-B1 Pharmaceutical compositions having differential drug release rate PITMAN MOORE LTD (GB) 1994-09-28 EP disclosed
US-5190760-A Drugs for bactericides and anthelmintics COOPERS ANIMAL HEALTH LIMITED (GB) 1993-03-02 US disclosed
US-5063219-A Anticoccidial composition HOFFMANN-LA ROCHE INC. (US) 1991-11-05 US disclosed
US-4996198-A Mixture of 2,4-diamino-5-(trisubstituted)benzyl-pyrimidine potentiated sulfonamide antibiotic with an ionophorous polyether HOFFMANN-LA ROCHE INC. (US) 1991-02-26 US disclosed
US-4795639-A ANTI-PROTOZOA TREATMENT BURROUGHS WELLCOME CO. (US) 1989-01-03 US disclosed
US-4156725-A MICROBIOCIDES BURROUGHS WELLCOME CO. (US) 1979-05-29 US disclosed
US-4073786-A BACTERIOSTAT BURROUGHS WELLCOME CO. (US) 1978-02-14 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 (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-20020183287-A1 Method of producing a concentrate comprising a sulfonamide in solution, a 2,4-diaminopyrimidine in stable suspension within said solution DPYD, DUS2, DHPS P2RX3 1098/4885P2RX2 378/4885DHFR 5/4885

“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.