SCHEMBL10071005

SCHEMBL10071005

CCCCOc1c(C(=O)NCc2ccc(F)cc2)nc2c(N3CCN(C(=O)OC(C)(C)C)CC3=O)cc(N(C)CC3CC3)cn2c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE7A Q13946 1/20 0.36
TP53 P04637 4/20 0.36
HTR2A P28223 1/20 0.35
CNR2 P34972 2/20 0.35
DNMT3A Q9Y6K1 1/20 0.34
KCNH2 Q12809 1/20 0.33
CYP2C9 P11712 1/20 0.33
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC1 Q13547 1/20 0.33
METTL3 Q86U44 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
SCHEMBL15101329 0.92 ENPP2 (0.39) ENPP2PDE4BPDE7ATP53HTR2A
SCHEMBL367643 0.92 TP53 (0.39) ENPP2PDE4BPDE7ATP53HTR2A
SCHEMBL10070053 0.87 SMN1; SMN2 (0.42) ENPP2PDE4BPDE7ATP53HTR2A
SCHEMBL15101376 0.87 PDE4B (0.39) ENPP2PDE4BPDE7A
SCHEMBL10069922 0.87 ENPP2 (0.39) ENPP2PDE4BPDE7ATP53CNR2
SCHEMBL10071007 0.86 ENPP2 (0.39) ENPP2PDE4BPDE7ATP53CNR2
SCHEMBL10070403 0.86 SMN1; SMN2 (0.39) ENPP2PDE4BPDE7ATP53HTR2A
SCHEMBL15101330 0.85 ENPP2 (0.38) ENPP2PDE4BPDE7ATP53CNR2
SCHEMBL367841 0.84 TP53 (0.39) ENPP2PDE4BPDE7ATP53HTR2A
SCHEMBL15101630 0.82 ENPP2 (0.36) ENPP2PDE4BPDE7ATP53HTR2A

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-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 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-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 ENPP2 1628/4885PDE4B 209/4885PDE7A 200/4885

“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.