SCHEMBL20138029

SCHEMBL20138029

COC(=O)COc1c(C)cc(Br)nc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
HTT P42858 4/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGS2 P35354 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 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
SCHEMBL1812380 0.89 ALDH1A1 (0.41) MAPTHTTPOLBKMT2AKDM4E
SCHEMBL4288933 0.87 MAPT (0.39) MAPTHTTPOLBKMT2AKDM4E
SCHEMBL12958836 0.87 MAPT (0.39) MAPTHTTPOLBKMT2AKDM4E
SCHEMBL4288927 0.87 MAPT (0.39) MAPTHTTPOLBKMT2AKDM4E
SCHEMBL20137973 0.85 KDM4E (0.44) MAPTHTTPOLBKMT2AKDM4E
SCHEMBL15517693 0.76 PTGS2 (0.51) MAPTKMT2APTGS2ALDH1A1MMP1
SCHEMBL8240786 0.76 MEN1 (0.43) MAPTHTTPOLBKMT2AKDM4E
SCHEMBL15529186 0.76 ALDH1A1 (0.47) MAPTHTTPOLBKMT2AKDM4E
SCHEMBL20137995 0.73 TDP1 (0.39) MAPTHTTPOLBKMT2AKDM4E
SCHEMBL15516697 0.73 KMT2A (0.56) POLBKMT2AKDM4ETSHRALDH1A1

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-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

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 MAPT 2775/4885HTT 303/4885POLB 3242/4885
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 MAPT 4148/4885HTT 3751/4885POLB 997/4885

“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.