SCHEMBL2156552

SCHEMBL2156552

O=C1Cn2c(c(C3CCCCC3)c3sc(C(=O)O)cc32)-c2ccccc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
CCNB2 O95067 3/20 0.33
CDK1 P06493 3/20 0.33
CCNB1 P14635 3/20 0.33
GSK3B P49841 3/20 0.33
CCNB3 Q8WWL7 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PRKCA P17252 1/20 0.32
MMP12 P39900 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
BLM P54132 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
SCHEMBL2156390 0.91 CDK1 (0.35) TP53CCNB2CDK1CCNB1GSK3B
SCHEMBL874916 0.79 PRKCA (0.50) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL13476310 0.79 CREBBP (0.39) MAPTHTTALDH1A1
SCHEMBL13476649 0.79 CDK1 (0.32) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL14277521 0.78 CDK1 (0.36) CDK1
SCHEMBL4382196 0.77 NOTUM (0.42) POLBKDM4EALDH1A1HPGDNOTUM
SCHEMBL5256403 0.77 OPRM1 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL4394875 0.76 PRKCA (0.33) TP53MAPTPRKCAMMP12POLB
SCHEMBL2156837 0.76 KDM4E (0.34) TP53KMT2AMAPTPRKCAMMP12
SCHEMBL13476655 0.75 PDE3B (0.35) HTTKDM4E

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 TP53 834/4885CCNB2 279/4885CDK1 145/4885

“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.