SCHEMBL13315970

SCHEMBL13315970

CCCCCn1c(C(=O)OC)c([N+](=O)[O-])c(=O)n(CCCCC)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CNR2 P34972 6/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 2/20 0.37
▸ TNF P01375 1/20 0.37
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ GRK6 P43250 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KMT2A Q03164 2/20 0.34

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
SCHEMBL13315955 0.87 NCOA1 (0.40) KDM4EMAPK1NPSR1ALDH1A1MAPT
SCHEMBL13315958 0.76 KMT2A (0.40) KDM4EALDH1A1MAPTPDE4APDE4B
SCHEMBL4769165 0.72 PDE4A (0.39) NPSR1CNR2ALDH1A1PDE4APDE4B
SCHEMBL4772714 0.70 ADORA2B (0.39) KDM4EMAPK1CNR2ALDH1A1MAPT
SCHEMBL4767722 0.68 PDE4A (0.40) NPSR1ALDH1A1TNFPDE4APDE4B
SCHEMBL4772712 0.67 ALDH1A1 (0.36) KDM4ENPSR1ALDH1A1MAPTTNF
SCHEMBL4767903 0.66 RGS4 (0.46) KDM4ENPSR1ALDH1A1MAPTTNF
SCHEMBL4229116 0.65 ADORA2A (0.40) NPSR1ALDH1A1MAPTPDE4APDE4B
SCHEMBL8176996 0.65 RGS4 (0.36) KDM4EMAPK1NPSR1CNR2ALDH1A1
SCHEMBL6239660 0.64 RGS4 (0.50) CNR2TNFPDE4APDE4BPDE4C

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-20100144764-A1 PYRIMIDINEDIONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 — — US disclosed
WO-2008127591-A2 PYRIMIDINEDIONE DERIVATIVES AND USE THEREOF SCHERING CORPORATION (US) 2008-10-23 — — WO 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-20100144764-A1 PYRIMIDINEDIONE DERIVATIVES AND METHODS OF USE THEREOF DPYD, TYMS, FPGS KDM4E 2442/4885MAPK1 2643/4885NPSR1 3108/4885

“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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