SCHEMBL10069100

SCHEMBL10069100

CCOC(=O)c1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cccc2o1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43

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
SCHEMBL30725419 1.00 BACE1 (0.49) BACE1ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL1888565 0.88 BACE1 (0.47) BACE1ALDH1A1MAPT
SCHEMBL9954801 0.87 ALDH1A1 (0.46) ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL1889559 0.86 MAOB (0.47) BACE1
SCHEMBL29881433 0.86 BACE1 (0.49) BACE1
SCHEMBL1887597 0.86 BACE1 (0.49) BACE1
SCHEMBL29881549 0.86 MAOB (0.47) BACE1
SCHEMBL16218016 0.85 KDM4E (0.50) ALDH1A1
SCHEMBL13667297 0.84 BACE1 (0.44) BACE1
SCHEMBL10068249 0.83 BACE1 (0.57) BACE1ALDH1A1SMN1; SMN2CA12CA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430574-B Benzofuran derivative and preparation method and application thereof 潍坊医学院 2024-03-22 CN disclosed
CN-117430574-A Benzofuran derivative and preparation method and application thereof 潍坊医学院 2024-01-23 CN disclosed
EP-2655365-B1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE Acturum Life Science AB (SE) 2015-12-16 EP disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
WO-2012087229-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2012-06-28 WO 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-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE GRIN2C, BDNF, GRIN2A BACE1 20/4885ALDH1A1 436/4885MAPT 30/4885

“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.