SCHEMBL20138024

SCHEMBL20138024

C[C@H]1Oc2c(F)cc(C3CCN(C(=O)O)C3)cc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.38
TRPV1 Q8NER1 4/20 0.36
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
ADAM17 P78536 1/20 0.33

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
SCHEMBL20138191 0.92 PDE4B (0.37) PARP1TRPV1CDK7CDK9SMYD3
SCHEMBL20138247 0.86 TRPV1 (0.35) PARP1TRPV1CDK7CDK9
SCHEMBL28525837 0.86 MAPT (0.45)
SCHEMBL18305086 0.81 NR3C1 (0.37) PARP1TRPV1NPC1RAB9AATM
SCHEMBL20137956 0.77 HTR2A (0.34) PARP1TRPV1
Hydrochloric Acid SCHEMBL20137965 0.77 PARP1 (0.33) PARP1TRPV1
SCHEMBL18305073 0.73 NR3C1 (0.39) TRPV1
SCHEMBL18128160 0.71 POLB (0.42) PARP1TRPV1SMYD3
SCHEMBL30806796 0.69 PARP1 (0.44) PARP1SMYD3
SCHEMBL28525830 0.69 KDM4E (0.43)

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 1553/4885TRPV1 92/4885CDK7 3776/4885
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 2142/4885TRPV1 203/4885CDK7 3205/4885

“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.