Sugi Predict

Sugi Predict / Compounds / SCHEMBL1361075

SCHEMBL1361075

SCHEMBL1361075

Cc1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCOc2ccc(OC(F)(F)F)cc2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD11B1 P28845 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CACNA2D1 P54289 1/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ MMP3 P08254 2/20 0.33

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
SCHEMBL1360000 0.91 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL1360093 0.90 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL1360001 0.89 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL1361314 0.88 CYP3A4 (0.39) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL1362394 0.88 TDP1 (0.47) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL4820642 0.86 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL1362578 0.86 TDP1 (0.44) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL1361758 0.86 ICMT (0.42) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL1360354 0.85 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
Hydrochloric Acid SCHEMBL4815192 0.85 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9

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 CYP1A2 2238/4885CYP3A4 3355/4885CYP2D6 3336/4885

“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.