SCHEMBL10018601

SCHEMBL10018601

CCOC(=O)NCCCn1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 5/20 0.71
▸ ADORA2B P29275 6/20 0.60
▸ PDE4A P27815 2/20 0.60
▸ PDE4B Q07343 2/20 0.60
▸ PDE4C Q08493 2/20 0.60
▸ PDE4D Q08499 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ ACHE P22303 1/20 0.60
▸ PMP22 Q01453 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ CHIT1 Q13231 1/20 0.52
▸ CHIA Q9BZP6 1/20 0.52
▸ ADORA2A P29274 1/20 0.50
▸ GLA P06280 1/20 0.49
▸ BLM P54132 1/20 0.49

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
SCHEMBL5424162 0.83 TNF (1.00) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL17682312 0.82 TNF (1.00) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL8644270 0.80 TNF (0.79) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL28422631 0.79 TNF (0.69) TNFADORA2BPDE4APDE4BPDE4C
Bisdionin C SCHEMBL10018600 0.79 CHIT1 (0.75) TNFADORA2BPDE4APDE4BPDE4C
Bisdionin D SCHEMBL16120988 0.79 ADORA2B (0.79) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL516018 0.78 PDE4A (0.78) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL8645950 0.78 ADORA2B (0.63) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL8649006 0.78 TNF (0.52) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL16120981 0.78 ADORA2B (0.77) TNFADORA2BPDE4APDE4BPDE4C

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-8207175-B2 Inhibitor compounds UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2012-06-26 — — US disclosed
US-20090215798-A1 Inhibitor Compounds UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2009-08-27 — — 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 (1 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-20090215798-A1 Inhibitor Compounds ENGASE, MAN2B2, CHIA TNF 4508/4885ADORA2B 4138/4885PDE4A 1656/4885

“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.

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