SCHEMBL2156306

SCHEMBL2156306

CN(C)CC(=O)N1CCn2c(c(C3CCCCC3)c3sc(C(=O)O)cc32)-c2ccccc2C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 9/20 0.37
LIPG Q9Y5X9 1/20 0.37
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
NLRP3 Q96P20 1/20 0.35
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL4390284 0.90 NPY5R (0.37) KDM4EMEN1KMT2ANPSR1POLB
SCHEMBL2156557 0.85 PRKCA (0.39) KDM4EKMT2ANPSR1SIGMAR1PRKCA
SCHEMBL2156837 0.84 KDM4E (0.34) KDM4EKMT2ANPSR1POLBSIGMAR1
SCHEMBL3081040 0.82 PRKCA (0.54) KDM4EMEN1KMT2ANPSR1POLB
SCHEMBL4390041 0.82 ALDH1A1 (0.37) KDM4EKMT2ANPSR1POLBSIGMAR1
SCHEMBL4387244 0.81 PRKCA (0.35) KDM4EKMT2ANPSR1PRKCAMMP12
SCHEMBL4389329 0.81 SIGMAR1 (0.34) KDM4EMEN1KMT2ANPSR1SIGMAR1
SCHEMBL4394890 0.80 PRKCA (0.34) KDM4EMEN1KMT2ANPSR1SIGMAR1
SCHEMBL4382196 0.80 NOTUM (0.42) KDM4EPOLBLMNA
SCHEMBL2157700 0.79 PRKCA (0.39) KDM4EPOLBPRKCAMMP12NR1I2

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 3 patents. 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
US-7973026-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-05 US disclosed
US-20090105227-A1 Thienopyrroles As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-04-23 US 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-20090105227-A1 Thienopyrroles As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L KDM4E 3275/4885MEN1 4599/4885KMT2A 3202/4885

“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.