SCHEMBL20138207

SCHEMBL20138207

Cc1nc2ccccn2c1CN1C(=O)COc2ccc(B3OC(C)(C)C(C)(C)O3)nc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 3/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
ENPP2 Q13822 1/20 0.31
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL20138143 0.83 SSTR5 (0.38) SSTR5HCRTR1HCRTR2SMN1; SMN2LMNA
SCHEMBL20138228 0.76 BRD4 (0.31)
SCHEMBL20138128 0.76 SHMT2 (0.34) SMN1; SMN2NPC1RAB9A
SCHEMBL20138236 0.71 MAPK1 (0.37) SSTR5SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL20138107 0.67 KCNK3 (0.37) SSTR5HCRTR1HCRTR2LMNAHTT
SCHEMBL20138214 0.66 TSHR (0.35) SSTR5HCRTR1HCRTR2HTTALDH1A1
SCHEMBL20138179 0.66 TSHR (0.35) SSTR5HCRTR1HCRTR2HTTALDH1A1
SCHEMBL18128182 0.66 GAA (0.37) SMN1; SMN2LMNAALDH1A1NPC1TP53
SCHEMBL18949707 0.65 NPSR1 (0.44) LMNAALDH1A1NPC1KDM4EKMT2A
SCHEMBL18127970 0.64 L3MBTL1 (0.47) L3MBTL1ALDH1A1TP53RAB9AKMT2A

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 SSTR5 3592/4885HCRTR1 527/4885HCRTR2 1092/4885
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 SSTR5 2805/4885HCRTR1 573/4885HCRTR2 887/4885

“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.