SCHEMBL5459629

SCHEMBL5459629

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.43
APEX1 P27695 1/20 0.43
BCAT2 O15382 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NSD2 O96028 1/20 0.37

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
SCHEMBL5459625 0.80 GAA (0.42) GAAHTTTSHRKMT2AAPEX1
SCHEMBL8745364 0.75 ALDH1A1 (0.60) GAAKDM4EHPGDLMNAALDH1A1
SCHEMBL12083361 0.72 KDM4E (0.63) GAAHTTTSHRKMT2AKDM4E
SCHEMBL6903284 0.71 TSHR (0.58) HTTTSHRKMT2AAPEX1KDM4E
SCHEMBL9356632 0.70 GAA (0.42) GAAHTTTSHRBCAT2KDM4E
SCHEMBL19297581 0.70 ALDH1A1 (0.54) GAAHTTTSHRKMT2AKDM4E
SCHEMBL1840414 0.69
SCHEMBL2129167 0.69 TSHR (0.47) GAAHTTTSHRKMT2AAPEX1
SCHEMBL19297351 0.69 ALDH1A1 (0.52) GAAHTTTSHRKDM4EHPGD
SCHEMBL25969064 0.69 KMT2A (0.59) GAAHTTTSHRKMT2AAPEX1

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 4658/4885HTT 3594/4885TSHR 116/4885
US-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines CCKBR, CCKAR, GABRB1 GAA 2957/4885HTT 4105/4885TSHR 311/4885
US-20140005248-A1 NOVEL CHOLECYSTOKININ RECEPTOR LIGANDS CCKAR, CCKBR, GRPR GAA 4606/4885HTT 2311/4885TSHR 131/4885
US-20070123718-A1 Novel 4-amino-2(5H)-furanones CBR1, CBR3, GPR18 GAA 4780/4885HTT 3331/4885TSHR 830/4885

“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.