SCHEMBL4392549

SCHEMBL4392549

CN(CCOCc1ccccc1)CCN1CCn2c(c(C3CCCCC3)c3sc(C(=O)O)cc32)-c2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.32
MMP12 P39900 1/20 0.32
TMEM97 Q5BJF2 3/20 0.32
SIGMAR1 Q99720 3/20 0.32
ASAH1 Q13510 1/20 0.32
TEAD3 Q99594 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
ADRA1D P25100 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
TSPO P30536 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL4387244 0.89 PRKCA (0.35) PRKCAMMP12HRH3
SCHEMBL2156557 0.88 PRKCA (0.39) PRKCAMMP12TMEM97SIGMAR1HRH3
SCHEMBL4394890 0.85 PRKCA (0.34) PRKCAMMP12SIGMAR1HTR1AADRA2A
SCHEMBL4390041 0.84 ALDH1A1 (0.37) PRKCAMMP12SIGMAR1
SCHEMBL4389329 0.83 SIGMAR1 (0.34) PRKCAMMP12SIGMAR1
SCHEMBL4387692 0.81 MMP12 (0.36) MMP12
SCHEMBL4383179 0.80 KDM4E (0.32) PRKCAMMP12SIGMAR1DRD4DRD3
SCHEMBL4382706 0.80 DHODH (0.32) PRKCAMMP12
SCHEMBL2156837 0.80 KDM4E (0.34) PRKCAMMP12SIGMAR1
SCHEMBL4394861 0.79 CHRM1 (0.36)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105227-A1 Thienopyrroles As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-04-23 US claimed

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-20090105227-A1 Thienopyrroles As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L PRKCA 3320/4885MMP12 4441/4885TMEM97 1765/4885

“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.