SCHEMBL1362893

SCHEMBL1362893

COC(=O)C(C)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 9/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
F2RL1 P55085 2/20 0.37
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
SMPD3 Q9NY59 1/20 0.36
CSNK1A1 P48729 1/20 0.35
TYRO3 Q06418 1/20 0.35
DYRK1B Q9Y463 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
SCHEMBL22645117 0.84 KDM4E (0.46) FPR2KDM4EALDH1A1MMP1MMP3
SCHEMBL6171373 0.83 ALDH1A1 (0.42) FPR2KDM4EALDH1A1MMP1MMP3
SCHEMBL27693248 0.81 FPR2 (0.44) FPR2KDM4EALDH1A1MMP1MMP3
SCHEMBL28626525 0.79 FPR2 (0.43) FPR2KDM4EALDH1A1MMP1MMP3
SCHEMBL570524 0.79 ADRA2A (0.47) FPR2KDM4EALDH1A1MMP1MMP3
SCHEMBL6448258 0.79 FPR2 (0.43) FPR2KDM4EALDH1A1MMP1MMP3
SCHEMBL5460567 0.78 CSNK1A1 (0.44) FPR2KDM4EALDH1A1MMP1MMP3
Hydrochloric Acid SCHEMBL28220351 0.78 ADRA2A (0.46) FPR2KDM4EALDH1A1MMP1MMP3
Bromide SCHEMBL28219788 0.78 ADRA2A (0.46) FPR2KDM4EALDH1A1MMP1MMP3
SCHEMBL4411652 0.77 MMP1 (0.43) FPR2KDM4EALDH1A1MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1111237-A Preparation of amides and peptides HOFFMANN LA ROCHE (CH) 1995-11-08 CN claimed
US-8067453-B2 Oxazole compound to treat or prevent diabetic neuropathy; 4-(4-chlorophenyl)-5-(3-(2-methoxyphenoxy)propyl-2-methyl-1-imidazolyl)oxazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-29 US disclosed
US-20080269219-A1 Neurotrophin production/secretion promoting agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-7396848-B1 oxazole derivatives to treat diabetic neuropathy and/or other kinds of peripheral neuropathy; 4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-methyl-1-imidazolyl)oxazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-08 US disclosed
CN-1291985-C Neurotrophin production/secretion promoting agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-12-27 CN disclosed
EP-1206472-B1 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-10-01 EP disclosed
US-6605629-B1 Oxazole derivatives; low toxicity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-12 US disclosed
CN-1372557-A Neurotrophin production/secretion promoting agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-02 CN disclosed
EP-1206472-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT Takeda Chemical Industries, Ltd. (JP) 2002-05-22 EP disclosed
WO-2001014372-A2 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-01 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 (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-20080269219-A1 Neurotrophin production/secretion promoting agent BDNF, NGF, NTRK2 FPR2 875/4885KDM4E 4507/4885ALDH1A1 937/4885

“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.