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Sugi Predict / Compounds / SCHEMBL1362394

SCHEMBL1362394

SCHEMBL1362394

Cc1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCOc2ccccc2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ICMT O60725 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PORCN Q9H237 1/20 0.35
▸ TNK2 Q07912 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
SCHEMBL1362578 0.96 TDP1 (0.44) TDP1L3MBTL1CYP3A4CYP2D6CYP1A2
SCHEMBL1360093 0.92 CYP1A2 (0.42) TDP1L3MBTL1CYP3A4CYP2D6CYP1A2
SCHEMBL1360001 0.91 CYP1A2 (0.41) TDP1L3MBTL1CYP3A4CYP2D6CYP1A2
SCHEMBL1361648 0.91 GRM5 (0.40) TDP1L3MBTL1CYP3A4CYP2D6CYP1A2
SCHEMBL961476 0.90 POLB (0.42) TDP1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL1360080 0.89 GRM5 (0.41) TDP1L3MBTL1CYP3A4CYP2D6CYP1A2
SCHEMBL1361758 0.89 ICMT (0.42) TDP1L3MBTL1CYP3A4CYP2D6CYP1A2
SCHEMBL4820642 0.89 CYP1A2 (0.39) TDP1L3MBTL1CYP3A4CYP2D6CYP1A2
SCHEMBL1361314 0.89 CYP3A4 (0.39) TDP1L3MBTL1CYP3A4CYP2D6CYP1A2
SCHEMBL1361791 0.88 ICMT (0.49) TDP1L3MBTL1CYP3A4CYP2D6CYP1A2

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 TDP1 3338/4885L3MBTL1 4541/4885CYP3A4 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.