SCHEMBL1361654

SCHEMBL1361654

CC1(c2nc(-c3ccc(Cl)cc3)c(CCCCO)s2)N=CC=N1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
PTGDR2 Q9Y5Y4 9/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
AGER Q15109 9/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 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
SCHEMBL1361085 0.76 HTT (0.68) HTTPTGDR2SIRT2AGERKDM4E
SCHEMBL1363296 0.74 HTT (0.49) HTTPTGDR2SIRT2AGERKDM4E
SCHEMBL1362155 0.73 HTT (0.39) HTTPTGDR2SIRT2AGERKDM4E
SCHEMBL1361655 0.69 AGER (0.40) HTTPTGDR2AGERKDM4EALDH1A1
SCHEMBL10358564 0.67 HTT (0.51) HTTPTGDR2AGERKDM4EALDH1A1
SCHEMBL10358535 0.66 HTT (0.73) HTTPTGDR2KDM4EALDH1A1CYP1A2
SCHEMBL10358559 0.65 MYC (0.51) HTTPTGDR2KDM4EALDH1A1
SCHEMBL28931361 0.64 HTT (0.70) HTTPTGDR2AGERKDM4EALDH1A1
Carbamic Acid SCHEMBL10358551 0.62 PTGDR2 (0.52) HTTPTGDR2KDM4EALDH1A1CYP1A2
SCHEMBL11149762 0.61 PTGDR2 (0.48) HTTPTGDR2KDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1206472-B1 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-10-01 EP 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 HTT 1226/4885PTGDR2 559/4885SIRT2 1453/4885

“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.