SCHEMBL2945628

SCHEMBL2945628

CC(C)(C)OC(=O)NC1CCC(OC(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ CACNB4 O00305 1/20 0.40
▸ CACNA1A O00555 1/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNG3 O60359 1/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNB3 P54284 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.40
▸ CACNG7 P62955 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40

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
SCHEMBL2945630 1.00 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL2947445 0.90 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL2947446 0.90 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL2946967 0.87 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL4187503 0.81 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL2946756 0.79 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL2946758 0.79 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL13744524 0.79 MAPT (0.62) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL2948650 0.78 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL2948652 0.78 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1GAAKMT2A

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
EP-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 — — EP disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 — — US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 — — US disclosed
US-20050282808-A1 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 — — US disclosed
EP-1489078-A1 BENZOFURAN DERIVATIVE Tanabe Seiyaku Co., Ltd. (JP) 2004-12-22 — — EP 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 (2 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-20050282808-A1 Benzofuran derivative F12, F2, F11 SMN1; SMN2 3151/4885KDM4E 1427/4885ALDH1A1 683/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 SMN1; SMN2 3067/4885KDM4E 1464/4885ALDH1A1 693/4885

“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.

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