SCHEMBL20138131

SCHEMBL20138131

C[C@H]1Oc2c(F)cc(-c3ccn(C(=O)O)c3)cc2NC1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.34
BRD4 O60885 1/20 0.34
CECR2 Q9BXF3 1/20 0.33
CREBBP Q92793 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
TRPV1 Q8NER1 3/20 0.31

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
SCHEMBL18305166 0.77 NR3C2 (0.45) NR3C1PGRNR3C2
SCHEMBL18128160 0.73 POLB (0.42) PARP1SMN1; SMN2TRPV1
SCHEMBL20138188 0.72 PARP1 (0.37) PARP1BRD4CREBBPPDE3BPDE3A
SCHEMBL20137948 0.71 CYP11B2 (0.41) PARP1PDE3BPDE3A
SCHEMBL16792483 0.71 PARP1 (0.44) PARP1BRD4CECR2PDE3BPDE3A
SCHEMBL18128043 0.71 PARP1 (0.44) PARP1BRD4CECR2PDE3BPDE3A
SCHEMBL20138138 0.70 PARP1 (0.38) PARP1BRD4CECR2PDE3BPDE3A
SCHEMBL20138248 0.70 BRD4 (0.40) PARP1BRD4CREBBPPGRTRPV1
SCHEMBL31451527 0.70 PARP1 (0.42) PARP1BRD4CECR2CREBBPPDE3B
SCHEMBL20138193 0.69 PARP1 (0.41) PARP1BRD4CECR2PDE3BPDE3A

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 PARP1 1553/4885BRD4 1801/4885CECR2 3996/4885
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 PARP1 2142/4885BRD4 2210/4885CECR2 3136/4885

“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.