SCHEMBL1360080

SCHEMBL1360080

Cc1cc(C)cc(OCCCc2oc(-n3ccnc3C)nc2-c2ccc(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDR P35968 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ICMT O60725 1/20 0.32
KCNH2 Q12809 1/20 0.32
GCGR P47871 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL1361648 0.92 GRM5 (0.40) GRM5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1362240 0.91 CYP1A2 (0.36) GRM5CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL1360093 0.91 CYP1A2 (0.42) GRM5CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL1362005 0.89 GRM5 (0.35) GRM5CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL1362394 0.89 TDP1 (0.47) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL1360001 0.88 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL1362039 0.88 TUBB4A (0.39) GRM5CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL961476 0.87 POLB (0.42) GRM5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1360354 0.87 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL1360347 0.86 SMN1; SMN2 (0.41) MAPTTDP1L3MBTL1MEN1KMT2A

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 5 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

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 GRM5 2169/4885CYP1A2 2238/4885CYP3A4 3355/4885

“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.