SCHEMBL205459

SCHEMBL205459

CC(C)(C)OC(=O)NCCCC(=O)c1ccc(Br)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.45
CA2 P00918 9/20 0.45
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
AAK1 Q2M2I8 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
IDO1 P14902 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL29925130 1.00 CA1 (0.45) CA1CA2CA12CA9TDP1
SCHEMBL4967914 0.96 TDP1 (0.44) CA1CA2CA12CA9TDP1
SCHEMBL30722163 0.96 TDP1 (0.44) CA1CA2CA12CA9TDP1
SCHEMBL24746443 0.91 CA1 (0.45) CA1CA2CA12CA9TDP1
SCHEMBL29891357 0.91 CA1 (0.45) CA1CA2CA12CA9TDP1
SCHEMBL19948710 0.82 TDP1 (0.41) CA1CA2CA12CA9TDP1
SCHEMBL3714898 0.82 TDP1 (0.44) CA1CA2CA12CA9TDP1
SCHEMBL29746426 0.82 TDP1 (0.41) CA1CA2CA12CA9TDP1
SCHEMBL24350075 0.82 NPC1 (0.54) CA1CA2CA12CA9TDP1
SCHEMBL1760150 0.82 HDAC1 (0.49) CA1CA2CA12CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024010762-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2024-01-11 WO disclosed
CN-116635028-A Modulators of c-MYC mRNA translation and their use in the treatment of cancer 艾尼莫生物科技公司 2023-08-22 CN disclosed
WO-2022150316-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2022-07-14 WO disclosed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 CA1 4281/4885CA2 3706/4885CA12 4214/4885

“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.