SCHEMBL3260895

SCHEMBL3260895

CC1(C)OB(c2ccc3[nH]c(=O)[nH]c(=O)c3c2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.47
CA12 O43570 3/20 0.47
PARG Q86W56 1/20 0.44
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
KDM4E B2RXH2 2/20 0.41
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LPL P06858 6/20 0.38
LIPG Q9Y5X9 6/20 0.38
CSF1R P07333 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL30935154 0.88 PRMT5 (0.44) CA9CA12PARGPRMT5WDR77
SCHEMBL20227582 0.85 PRMT5 (0.46) CA9CA12PRMT5WDR77KDM4E
SCHEMBL1226551 0.84 LPL (0.42) CA9CA12PRMT5WDR77LPL
SCHEMBL20227547 0.83 PARP1 (0.50) PRMT5WDR77KDM4EPARP1ALDH1A1
SCHEMBL29396069 0.82 LPL (0.46) CA9CA12PRMT5WDR77KDM4E
SCHEMBL20715158 0.82 LPL (0.46) CA9CA12PRMT5WDR77KDM4E
SCHEMBL20227576 0.79 PARP1 (0.44) CA9CA12PRMT5WDR77KDM4E
SCHEMBL20227583 0.79 PARP1 (0.50) CA9CA12PRMT5WDR77KDM4E
SCHEMBL20227578 0.79 PARP1 (0.50) CA9CA12PRMT5WDR77KDM4E
SCHEMBL26969856 0.77 AR (0.42) CA9CA12PRMT5WDR77SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity UCB BIOPHARMA SPRL (BE) 2019-05-14 US disclosed
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity UCB S.A. (BE) 2018-05-17 US disclosed
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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 (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-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A CA9 3427/4885CA12 4245/4885PARG 3812/4885
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity TNF, TNFRSF1A, NFKBIA CA9 3435/4885CA12 4183/4885PARG 3994/4885

“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.