SCHEMBL2392560

SCHEMBL2392560

CC(C)(COC(=O)C(C)(C)C)Cn1ccc2cc(Br)ccc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 7/20 0.39
PSMB1 P20618 3/20 0.38
PSMB5 P28074 3/20 0.38
POLB P06746 3/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCL1 Q07820 1/20 0.34
NCEH1 Q6PIU2 1/20 0.32

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
SCHEMBL1710275 0.82 PSMB1 (0.40) TNFPSMB1PSMB5POLBKDM4E
SCHEMBL1710539 0.81 DUT (0.36) TNFPSMB1PSMB5POLBKDM4E
SCHEMBL1500330 0.79 PSMB1 (0.42) TNFPSMB1PSMB5POLBKDM4E
SCHEMBL20786907 0.79 HTR7 (0.42) TNFPSMB1PSMB5POLBKDM4E
SCHEMBL1710236 0.78 ALDH1A1 (0.35) PSMB1PSMB5POLBGAANPSR1
SCHEMBL20786879 0.77 TNF (0.51) TNFPSMB1PSMB5POLBKDM4E
SCHEMBL1500208 0.72 PSMB1 (0.43) TNFPSMB1PSMB5POLBKDM4E
SCHEMBL18953783 0.71 TNF (0.43) TNF
SCHEMBL20786908 0.71 ITGB3 (0.51) PSMB1PSMB5POLBKDM4E
SCHEMBL20808938 0.70 PSMB1 (0.48) PSMB1PSMB5POLBKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012980-B2 Isoquinolinone derivatives ASTRAZENECA AB (SE) 2011-09-06 US disclosed
US-20100099665-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-22 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-20100099665-A1 ISOQUINOLINONE DERIVATIVES SDHA, NQO1, CYP3A5 TNF 1765/4885PSMB1 3437/4885PSMB5 1247/4885

“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.