SCHEMBL1361608

SCHEMBL1361608

COC(=O)CCc1oc(-n2ccnc2C)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
PPARD Q03181 5/20 0.37
ALDH1A1 P00352 3/20 0.37
PPARG P37231 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PPARA Q07869 1/20 0.37
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
MCHR1 Q99705 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PORCN Q9H237 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 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
SCHEMBL6603683 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1362191 0.83 KDM4E (0.38) PTPN1PPARDALDH1A1PPARGKDM4E
SCHEMBL1360271 0.83 RXRA (0.38) PPARDMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5212615 0.81 ALDH1A1 (0.42) PTPN1ALDH1A1KDM4EMAPTHPGD
SCHEMBL1363251 0.78 CETP (0.35) PPARDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL1360000 0.78 CYP1A2 (0.41) PTPN1PPARDALDH1A1PPARGKDM4E
SCHEMBL1362343 0.78 PTPN1 (0.40) PTPN1PPARDPPARGKDM4EPPARA
SCHEMBL5210693 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1362046 0.76 PPARD (0.36) PPARDALDH1A1PPARGKDM4ETP53
SCHEMBL6606347 0.76 RXRA (0.47) ALDH1A1KDM4ETP53MAPTSMN1; SMN2

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
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-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 (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 PTPN1 2994/4885PPARD 2505/4885ALDH1A1 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.