SCHEMBL20138128

SCHEMBL20138128

Cc1nn(C)c(C)c1CN1C(=O)COc2ccc(B3OC(C)(C)C(C)(C)O3)nc21

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL20138228 0.83 BRD4 (0.31)
SCHEMBL20138099 0.82 TSHR (0.32) SHMT2NPC1RAB9ASMN1; SMN2
SCHEMBL20138056 0.82 TSHR (0.32) SHMT2NPC1RAB9ASMN1; SMN2
SCHEMBL20137971 0.81 SMN1; SMN2 (0.36) SHMT2NPC1RAB9ASMN1; SMN2
SCHEMBL20138189 0.78 SMN1; SMN2 (0.34) SHMT2NPC1RAB9ASMN1; SMN2
SCHEMBL20138207 0.76 SSTR5 (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL20138097 0.73 GRM2 (0.32) SHMT2NPC1RAB9ASMN1; SMN2
SCHEMBL20138002 0.72 SHMT2 (0.35) SHMT2NPC1RAB9ASMN1; SMN2
SCHEMBL18305039 0.72 IDO1 (0.30)
SCHEMBL20138021 0.72 EIF2AK4 (0.36) SHMT2NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A SHMT2 2782/4885NPC1 4103/4885RAB9A 1652/4885

“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.