SCHEMBL20138099

SCHEMBL20138099

Cc1nn(C)c(C)c1CN1C(=O)[C@@H](C)Oc2ccc(B3OC(C)(C)C(C)(C)O3)nc21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SHMT2 P34897 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL20138056 1.00 TSHR (0.32) TSHRNPSR1SMN1; SMN2ALDH1A1SHMT2
SCHEMBL20138128 0.82 SHMT2 (0.34) SMN1; SMN2SHMT2NPC1RAB9A
SCHEMBL20138011 0.81 TSHR (0.35) TSHRNPSR1SMN1; SMN2ALDH1A1SHMT2
SCHEMBL20137982 0.81 TSHR (0.35) TSHRNPSR1SMN1; SMN2ALDH1A1SHMT2
SCHEMBL20138223 0.72 TSHR (0.32) TSHR
SCHEMBL20138190 0.71 SMN1; SMN2 (0.38) TSHRNPSR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL20138091 0.70 GALR3 (0.35) TSHRSMN1; SMN2ALDH1A1
SCHEMBL20138124 0.70 SMN1; SMN2 (0.33) TSHRSMN1; SMN2ALDH1A1SHMT2NPC1
SCHEMBL20137999 0.70 TSHR (0.35) TSHRSMN1; SMN2ALDH1A1
SCHEMBL20138130 0.69 MAPK1 (0.42)

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 TSHR 2169/4885NPSR1 1482/4885SMN1; SMN2 798/4885
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 TSHR 940/4885NPSR1 427/4885SMN1; SMN2 419/4885

“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.