SCHEMBL10070403

SCHEMBL10070403

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
ENPP2 Q13822 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KIT P10721 1/20 0.37
HTR2A P28223 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE7A Q13946 1/20 0.36
CNR2 P34972 2/20 0.36
TP53 P04637 3/20 0.36
TTK P33981 1/20 0.35
EGFR P00533 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 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
SCHEMBL10070053 0.97 SMN1; SMN2 (0.42) SMN1; SMN2ENPP2LMNAMAPTCYP2C19
SCHEMBL10069922 0.95 ENPP2 (0.39) SMN1; SMN2ENPP2LMNAMAPTCYP2C19
SCHEMBL10071007 0.94 ENPP2 (0.39) SMN1; SMN2ENPP2LMNAMAPTCYP2C19
SCHEMBL15101330 0.93 ENPP2 (0.38) SMN1; SMN2ENPP2LMNAMAPTCYP2C19
SCHEMBL367233 0.92 TP53 (0.39) SMN1; SMN2ENPP2LMNAMAPTCYP2C19
SCHEMBL15101329 0.89 ENPP2 (0.39) SMN1; SMN2ENPP2LMNAMAPTCYP2C19
SCHEMBL367968 0.88 TP53 (0.42) SMN1; SMN2ENPP2LMNAMAPTCYP2C19
SCHEMBL10070079 0.87 SMN1; SMN2 (0.41) SMN1; SMN2ENPP2LMNAMAPTCYP2C19
SCHEMBL15101630 0.86 ENPP2 (0.36) ENPP2HTR2APDE4BPDE7ACNR2
SCHEMBL10070939 0.86 LMNA (0.41) SMN1; SMN2LMNAMAPTCYP2C19HTT

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 SMN1; SMN2 2192/4885ENPP2 1628/4885LMNA 4293/4885

“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.