SCHEMBL1362343

SCHEMBL1362343

COC(=O)CCc1oc(Cl)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 3/20 0.39
PPARD Q03181 3/20 0.39
PPARG P37231 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PPARA Q07869 1/20 0.39
STAT3 P40763 2/20 0.38
STAT1 P42224 1/20 0.38
DHODH Q02127 1/20 0.37
CTSA P10619 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 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
SCHEMBL5212455 0.87 CYP11B1 (0.43) MAPTTP53SMN1; SMN2LMNAGAA
SCHEMBL1362553 0.87 CYP11B1 (0.43) MAPTSMN1; SMN2KDM4ELMNAGAA
SCHEMBL5208765 0.84 MAPT (0.51) MAPTPPARDPTGDR2KDM4ELMNA
SCHEMBL5402803 0.84 KDM4E (0.43) MAPTSMN1; SMN2KDM4ELMNAGAA
SCHEMBL1362051 0.81 MEN1 (0.46) MAPTKDM4E
SCHEMBL7461993 0.80 MAPT (0.40) MAPTKDM4ELMNA
SCHEMBL7509026 0.78 PTPN1 (0.41) PTPN1MAPTTP53PPARDPPARG
SCHEMBL5213765 0.78 RXRA (0.46) TRPV1TP53PPARDKDM4E
SCHEMBL1361608 0.78 PTPN1 (0.38) PTPN1TRPV1MAPTTP53PPARD
SCHEMBL6603521 0.77 CYP11B1 (0.41) MAPTSMN1; SMN2KDM4ELMNAGAA

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 13 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
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP disclosed
US-6699995-B1 ALKYLATION AT 5-POSITION OF OXAZOLE BY REACTION WITH UNSATURATED COMPOUND IN PRESENCE OF ACID OR BASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
EP-1219610-B1 PROCESS FOR THE PREPARATION OF OXAZOLE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-02-25 EP 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-1219610-A1 PROCESS FOR THE PREPARATION OF OXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP 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 (2 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 PTPN1 1878/4885TRPV1 1122/4885MAPT 3958/4885
US-20080269219-A1 Neurotrophin production/secretion promoting agent BDNF, NGF, NTRK2 PTPN1 2994/4885TRPV1 2013/4885MAPT 3908/4885

“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.