SCHEMBL2157406

SCHEMBL2157406

CCN(CC)CCN1CCn2c(c(C3CCCCC3)c3sc(C(=O)O)cc32)-c2sccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CCR6 P51684 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNH2 Q12809 2/20 0.30
MCHR1 Q99705 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30

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
SCHEMBL2156286 0.94 HTR1A (0.32) HTR1AACHELMNAKDM4EALDH1A1
SCHEMBL2156873 0.92 KDM4E (0.33) LMNAKDM4EALDH1A1TP53GAA
SCHEMBL4394890 0.87 PRKCA (0.34) HTR1ALMNAKDM4EALDH1A1TP53
SCHEMBL4386985 0.85 DRD2 (0.31) LMNAKDM4EALDH1A1TP53GAA
SCHEMBL2156853 0.82 ACHE (0.34) HTR1AACHE
SCHEMBL2156557 0.79 PRKCA (0.39) LMNAKDM4EALDH1A1TP53GAA
SCHEMBL4390041 0.78 ALDH1A1 (0.37) LMNAKDM4EALDH1A1TP53GAA
SCHEMBL4385287 0.77 ACKR3 (0.34) LMNAKDM4EALDH1A1TP53GAA
SCHEMBL4387244 0.77 PRKCA (0.35) LMNAKDM4EALDH1A1TP53GAA
SCHEMBL4389335 0.77 HRH3 (0.35) TP53ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973026-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-05 US claimed
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 HTR1A 557/4885ACHE 4622/4885LMNA 4377/4885

“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.