SCHEMBL20138158

SCHEMBL20138158

Cc1nn(C)c(C)c1CN1C(=O)CCc2ccc(C3CCCN(C(N)=O)C3)nc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
PROKR1 Q8TCW9 6/20 0.33
TRPV3 Q8NET8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRM2 Q14416 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
ARG1 P05089 1/20 0.30
PDE2A O00408 2/20 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
SCHEMBL20137950 0.92 GALR3 (0.37) GALR3SMN1; SMN2PROKR1TRPV3ALDH1A1
SCHEMBL20138233 0.90 GALR3 (0.36) GALR3SMN1; SMN2PROKR1TRPV3ALDH1A1
SCHEMBL20138199 0.84 CYP11B2 (0.35) SMN1; SMN2ALDH1A1GRM2LMNAMAPT
SCHEMBL20138039 0.82 GALR3 (0.36) GALR3SMN1; SMN2PROKR1TRPV3ALDH1A1
SCHEMBL20138135 0.80 GRM2 (0.40) GRM2
SCHEMBL20138285 0.78 GALR3 (0.36) GALR3SMN1; SMN2PROKR1TRPV3ALDH1A1
SCHEMBL18305075 0.75 CYP11B2 (0.34) SMN1; SMN2ALDH1A1GRM2LMNAMAPT
SCHEMBL20138283 0.74 BACE1 (0.35) LMNAPDE2A
SCHEMBL20138091 0.74 GALR3 (0.35) GALR3SMN1; SMN2PROKR1ALDH1A1LMNA
SCHEMBL20137959 0.73 RAB9A (0.37) GALR3SMN1; SMN2ALDH1A1LMNAMAPT

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 3 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

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 GALR3 1922/4885SMN1; SMN2 798/4885PROKR1 3147/4885
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 GALR3 1578/4885SMN1; SMN2 419/4885PROKR1 2443/4885

“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.