SCHEMBL4387244

SCHEMBL4387244

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CCR6 P51684 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
CCR5 P51681 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
SCHEMBL2156557 0.93 PRKCA (0.39) PRKCAMMP12KDM4EALDH1A1LMNA
SCHEMBL4394890 0.90 PRKCA (0.34) PRKCAMMP12KDM4EALDH1A1LMNA
SCHEMBL4392549 0.89 PRKCA (0.32) PRKCAMMP12HRH3
SCHEMBL4390041 0.88 ALDH1A1 (0.37) PRKCAMMP12KDM4EALDH1A1LMNA
SCHEMBL4389329 0.88 SIGMAR1 (0.34) PRKCAMMP12KDM4EALDH1A1LMNA
SCHEMBL4387692 0.85 MMP12 (0.36) MMP12KDM4EALDH1A1MAPK1
SCHEMBL4383179 0.85 KDM4E (0.32) PRKCAMMP12KDM4EALDH1A1LMNA
SCHEMBL4382706 0.84 DHODH (0.32) PRKCAMMP12KDM4EALDH1A1LMNA
SCHEMBL2156837 0.84 KDM4E (0.34) PRKCAMMP12KDM4EALDH1A1LMNA
SCHEMBL4394861 0.83 CHRM1 (0.36) LMNATP53HTTKMT2A

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 4441/4885KDM4E 3275/4885

“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.