SCHEMBL20138092

SCHEMBL20138092

CC(=O)N1C=C(c2ccc3c(n2)N(Cc2c(C)nn(C)c2C)C(=O)CO3)CCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SHMT2 P34897 1/20 0.36
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL20138124 0.85 SMN1; SMN2 (0.33) SMN1; SMN2NPC1RAB9ASHMT2KMT2A
SCHEMBL20138285 0.77 GALR3 (0.36) SMN1; SMN2NPC1RAB9ASHMT2KMT2A
SCHEMBL20137971 0.76 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ASHMT2KMT2A
SCHEMBL20138211 0.73 DRD2 (0.32) SMN1; SMN2NPC1RAB9ASHMT2
SCHEMBL20138189 0.73 SMN1; SMN2 (0.34) SMN1; SMN2NPC1RAB9ASHMT2KMT2A
SCHEMBL20137967 0.71 MAPK1 (0.43) SHMT2
SCHEMBL20138002 0.70 SHMT2 (0.35) SMN1; SMN2NPC1RAB9ASHMT2
SCHEMBL20138021 0.70 EIF2AK4 (0.36) SMN1; SMN2NPC1RAB9ASHMT2
SCHEMBL20138128 0.70 SHMT2 (0.34) SMN1; SMN2NPC1RAB9ASHMT2
SCHEMBL20138097 0.70 GRM2 (0.32) SMN1; SMN2NPC1RAB9ASHMT2KMT2A

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 SMN1; SMN2 798/4885NPC1 4103/4885RAB9A 1652/4885
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 SMN1; SMN2 419/4885NPC1 4360/4885RAB9A 1873/4885

“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.