SCHEMBL20137973

SCHEMBL20137973

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.40
S1PR4 O95977 1/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 3/20 0.40
POLB P06746 2/20 0.40
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 4/20 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
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
ALOX12 P18054 1/20 0.37
PDGFRB P09619 1/20 0.36
FGFR1 P11362 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
SCHEMBL20138029 0.85 MAPT (0.48) KDM4EKMT2ANPC1RAB9ALMNA
SCHEMBL15517693 0.76 PTGS2 (0.51) KMT2ALMNAMAPTPTGS2ALDH1A1
SCHEMBL1812380 0.73 ALDH1A1 (0.41) KDM4EKMT2ANPC1RAB9ALMNA
SCHEMBL15517469 0.73 LMNA (0.53) KDM4EKMT2ALMNAMAPTPOLB
SCHEMBL8240786 0.71 MEN1 (0.43) KDM4EKMT2ANPC1RAB9AMAPT
SCHEMBL12958836 0.71 MAPT (0.39) KDM4EKMT2ANPC1RAB9ALMNA
SCHEMBL4288933 0.71 MAPT (0.39) KDM4EKMT2ANPC1RAB9ALMNA
SCHEMBL4288927 0.71 MAPT (0.39) KDM4EKMT2ANPC1RAB9ALMNA
SCHEMBL4289353 0.70 KMT2A (0.42) KMT2ALMNAMAPTHTTPOLB
SCHEMBL18305040 0.70 GPR35 (0.43) KDM4EKMT2ANPC1RAB9ALMNA

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 KDM4E 2842/4885KMT2A 3814/4885NPC1 4103/4885
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 KDM4E 3793/4885KMT2A 3061/4885NPC1 4360/4885

“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.