SCHEMBL5459625

SCHEMBL5459625

NC(=O)NCNC(=O)c1ccccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
APEX1 P27695 1/20 0.36
BCAT2 O15382 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CAPN1 P07384 1/20 0.35
ERN1 O75460 1/20 0.34

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
SCHEMBL174937 0.81 ALDH1A1 (0.48) GAAKMT2AMEN1LMNATHRB
SCHEMBL10279067 0.80 LMNA (0.43) GAAKMT2AMEN1LMNATHRB
SCHEMBL5459629 0.80 GAA (0.47) GAAKMT2ALMNATSHRHTT
SCHEMBL11085020 0.79 SMN1; SMN2 (0.39) KMT2AMEN1LMNATHRBBLM
SCHEMBL6328702 0.79 CTSD (0.50) GAAKMT2AMEN1LMNATHRB
SCHEMBL14185996 0.79 MAOB (0.47) KMT2AMEN1BLMTSHRHTT
SCHEMBL16157270 0.78 KMT2A (0.41) KMT2AMEN1LMNATHRBBLM
SCHEMBL3093204 0.78 CYP1A2 (0.42) KMT2AMEN1LMNATHRBBLM
SCHEMBL10117106 0.78 KMT2A (0.49) KMT2AMEN1LMNATHRBBLM
SCHEMBL15728763 0.78 KEAP1 (0.53) GAAKMT2AMEN1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001035899-A9 INHIBITORS OF HELICOBACTER PYLORI INDUCED GASTROINTESTINAL DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-09-19 WO claimed
EP-1229925-A2 INHIBITORS OF HELICOBACTER PYLORI INDUCED GASTROINTESTINAL DISEASES Axxima Pharmaceuticals Aktiengesellschaft (DE) 2002-08-14 EP claimed
WO-2001035899-A2 INHIBITORS OF HELICOBACTER PYLORI INDUCED GASTROINTESTINAL DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2001-05-25 WO claimed
EP-2867205-B1 NOVEL CHOLECYSTOKININ RECEPTOR LIGANDS PNB VESPER LIFE SCIENCE PVT LTD (IN) 2018-12-19 EP disclosed
EP-2867205-A1 NOVEL CHOLECYSTOKININ RECEPTOR LIGANDS PNB Vesper Life Science Pvt Limited (IN) 2015-05-06 EP disclosed
US-8921577-B2 Cholecystokinin receptor ligands PNB Vesper Life Sciences Pvt. Ltd. (IN) 2014-12-30 US disclosed
WO-2014006629-A1 NOVEL CHOLECYSTOKININ RECEPTOR LIGANDS PNB VESPER LIFE SCIENCE PVT LIMITED (IN) 2014-01-09 WO disclosed
US-20140005248-A1 NOVEL CHOLECYSTOKININ RECEPTOR LIGANDS PNB VESPER LIFE SCIENCES PVT LTD. (IN) 2014-01-02 US disclosed
US-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines ASTON UNIVERSITY (GB) 2007-08-09 US disclosed
US-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives ASTON UNIVERSITY (GB) 2007-08-09 US disclosed
US-20070123718-A1 Novel 4-amino-2(5H)-furanones ASTON UNIVERSITY (GB) 2007-05-31 US disclosed
EP-1636197-A1 NOVEL 3-SUBSTITUTED-1,4-BENZODIAZEPINES Aston University (GB) 2006-03-22 EP disclosed
EP-1628963-A1 NOVEL UREIDO - AND AMIDO-PYRAZOLONE DERIVATIVES Aston University (GB) 2006-03-01 EP disclosed
EP-1628966-A2 4-AMINO-2(5H)-FURANONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS Aston University (GB) 2006-03-01 EP disclosed
WO-2004106310-A1 NOVEL 3-SUBSTITUTED-1,4-BENZODIAZEPINES ASTON UNIVERSITY (GB) 2004-12-09 WO disclosed
WO-2004106306-A1 NOVEL UREIDO - AND AMIDO-PYRAZOLONE DERIVATIVES ASTON UNIVERSITY (GB) 2004-12-09 WO disclosed
WO-2004106315-A2 4-AMINO-2(5H)-FURANONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS ASTON UNIVERSITY (GB) 2004-12-09 WO disclosed
WO-2001035899-A9 INHIBITORS OF HELICOBACTER PYLORI INDUCED GASTROINTESTINAL DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-09-19 WO disclosed
EP-1229925-A2 INHIBITORS OF HELICOBACTER PYLORI INDUCED GASTROINTESTINAL DISEASES Axxima Pharmaceuticals Aktiengesellschaft (DE) 2002-08-14 EP disclosed
WO-2001035899-A2 INHIBITORS OF HELICOBACTER PYLORI INDUCED GASTROINTESTINAL DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2001-05-25 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-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives CCKAR, CCKBR, GRPR GAA 4658/4885KMT2A 4491/4885MEN1 3287/4885
US-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines CCKBR, CCKAR, GABRB1 GAA 2957/4885KMT2A 2120/4885MEN1 2746/4885
US-20140005248-A1 NOVEL CHOLECYSTOKININ RECEPTOR LIGANDS CCKAR, CCKBR, GRPR GAA 4606/4885KMT2A 3141/4885MEN1 3472/4885
US-20070123718-A1 Novel 4-amino-2(5H)-furanones CBR1, CBR3, GPR18 GAA 4780/4885KMT2A 3361/4885MEN1 3224/4885

“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.