SCHEMBL20138003

SCHEMBL20138003

Cc1cc(Cl)nc2c1OCC(=O)N2Cc1c(C)nn(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 6/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
SLC5A1 P13866 2/20 0.32
POLB P06746 1/20 0.32
SHMT2 P34897 1/20 0.31
KMO O15229 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE7B Q9NP56 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ADCY10 Q96PN6 1/20 0.30
P2RX7 Q99572 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
SCHEMBL20137915 0.75 MAPK1 (0.41) SLC5A2SLC5A1PGRNR3C2
SCHEMBL20137971 0.73 SMN1; SMN2 (0.36) SLC5A2RAB9ANPC1SMN1; SMN2SLC5A1
SCHEMBL20137959 0.73 RAB9A (0.37) RAB9ANPC1SMN1; SMN2POLBSHMT2
SCHEMBL18305041 0.72 NMT1 (0.36) SLC5A2RAB9ANPC1SMN1; SMN2SLC5A1
SCHEMBL20138189 0.70 SMN1; SMN2 (0.34) RAB9ANPC1SMN1; SMN2SHMT2KMT2A
SCHEMBL20137985 0.69 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL18304945 0.68 HTR2A (0.36) RAB9ANPC1SMN1; SMN2POLBSHMT2
SCHEMBL20138304 0.68 SLC5A2 (0.33) SLC5A2SLC5A1
SCHEMBL20138128 0.68 SHMT2 (0.34) RAB9ANPC1SMN1; SMN2SHMT2
SCHEMBL18305039 0.66 IDO1 (0.30)

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 SLC5A2 2150/4885RAB9A 1652/4885NPC1 4103/4885
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 SLC5A2 3396/4885RAB9A 1873/4885NPC1 4360/4885

“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.