SCHEMBL1361453

SCHEMBL1361453

COc1ccccc1OCCCc1oc(-n2ccnc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.38
CYP1A2 P05177 5/20 0.38
CYP2C19 P33261 5/20 0.38
CYP2D6 P10635 5/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 5/20 0.38
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 1/20 0.36
GCGR P47871 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1362824 0.91 MAPK1 (0.43) CYP3A4CYP1A2CYP2C19CYP2D6HSD17B10
SCHEMBL1361404 0.84 L3MBTL1 (0.36) CYP3A4CYP1A2CYP2C19HSD17B10HPGD
SCHEMBL962882 0.83 MAPT (0.36) CYP3A4CYP1A2CYP2C19HSD17B10TDP1
SCHEMBL1363245 0.83 GRM7 (0.40) CYP3A4CYP1A2CYP2C19HSD17B10KDM4E
SCHEMBL1362811 0.81 GCGR (0.35) CYP3A4CYP1A2CYP2C19HSD17B10LMNA
SCHEMBL1360286 0.81 GCGR (0.37) CYP3A4CYP1A2CYP2C19HSD17B10HPGD
SCHEMBL1361698 0.81 MAPT (0.41) CYP3A4CYP1A2CYP2C19HSD17B10TDP1
SCHEMBL1360036 0.80 POLB (0.37) CYP3A4CYP1A2CYP2C19TSHRALDH1A1
SCHEMBL1361176 0.80 RAB9A (0.40) CYP3A4CYP1A2CYP2C19LMNATSHR
SCHEMBL1360017 0.80 MAPT (0.36) CYP3A4CYP1A2CYP2C19CYP2D6HSD17B10

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 7 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
US-6605629-B1 Oxazole derivatives; low toxicity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-12 US 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 CYP3A4 3355/4885CYP1A2 2238/4885CYP2C19 3407/4885

“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.