SCHEMBL1362039

SCHEMBL1362039

COc1cc(OCCCc2oc(-n3ccnc3C)nc2-c2ccc(Cl)cc2)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39
TUBB6 Q9BUF5 2/20 0.39
TUBB2B Q9BVA1 2/20 0.39
TUBB1 Q9H4B7 2/20 0.39
PDGFRB P09619 1/20 0.35
JAK2 O60674 1/20 0.35
EGFR P00533 1/20 0.35
CDK2 P24941 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL1361106 0.89 TUBB4A (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1360080 0.88 GRM5 (0.41) MAPTLMNAHTTTDP1L3MBTL1
SCHEMBL1360001 0.88 CYP1A2 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1361656 0.87 MAPT (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1363090 0.87 SMN1; SMN2 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1362240 0.87 CYP1A2 (0.36) TDP1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL961476 0.86 POLB (0.42) MAPTLMNAHTTTDP1L3MBTL1
SCHEMBL962882 0.86 MAPT (0.36) MAPTLMNAHTTTDP1L3MBTL1
SCHEMBL1360093 0.85 CYP1A2 (0.42) MAPTTDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL1362394 0.85 TDP1 (0.47) MAPTLMNAHTTTDP1L3MBTL1

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 TUBB4A 1076/4885TUBB 1202/4885TUBA3C 2857/4885

“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.