SCHEMBL20138138

SCHEMBL20138138

CSc1cccc(-c2cc(F)c3c(c2)NC(=O)[C@@H](C)O3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
BRD4 O60885 1/20 0.37
PGR P06401 5/20 0.36
IDO1 P14902 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 2/20 0.32
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
CECR2 Q9BXF3 1/20 0.32
DRD2 P14416 3/20 0.32
HTR1A P08908 1/20 0.31
DRD4 P21917 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 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
SCHEMBL18128082 0.81 PARP1 (0.40) PARP1BRD4PDE3BPDE3ATP53
SCHEMBL20138188 0.81 PARP1 (0.37) PARP1BRD4PGRPDE3BPDE3A
SCHEMBL20138248 0.81 BRD4 (0.40) PARP1BRD4PGR
SCHEMBL20137948 0.78 CYP11B2 (0.41) PARP1PDE3BPDE3A
SCHEMBL16792483 0.72 PARP1 (0.44) PARP1BRD4PGRPDE3BPDE3A
SCHEMBL18128043 0.72 PARP1 (0.44) PARP1BRD4PGRPDE3BPDE3A
SCHEMBL30806796 0.72 PARP1 (0.44) PARP1BRD4PGRPDE3BPDE3A
SCHEMBL18128266 0.72 PARP1 (0.56) PARP1BRD4DRD2HTR1ADRD4
SCHEMBL18128151 0.72 PARP1 (0.56) PARP1BRD4DRD2HTR1ADRD4
SCHEMBL20137986 0.72 BRD4 (0.31) PARP1BRD4

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 PARP1 1553/4885BRD4 1801/4885PGR 3192/4885
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 2210/4885PGR 2723/4885

“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.