SCHEMBL3552988

SCHEMBL3552988

Cn1c(=O)c2c(nc(SCCN)n2C)n(C)c1=O

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.78
MEN1 O00255 1/20 0.78
KMT2A Q03164 1/20 0.78
MAOB P27338 15/20 0.70
MAOA P21397 12/20 0.70
LMNA P02545 1/20 0.65
GAA P10253 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.62
MAPK1 P28482 1/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL21602513 0.88 RXFP1 (1.00) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL25522687 0.85 RXFP1 (0.78) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL21602500 0.83 RXFP1 (0.79) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL25522699 0.82 RXFP1 (0.74) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL3098630 0.82 RXFP1 (0.78) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL25522708 0.82 RXFP1 (0.74) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL25241641 0.81 RXFP1 (0.72) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL25204131 0.79 MAOB (1.00) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL25209652 0.78 RXFP1 (0.67) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL25236490 0.77 RXFP1 (0.65) RXFP1MEN1KMT2AMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236810-B2 Substituted 8-aminoalkylthioxanthines, and their use as inhibitors of dipeptidyl peptidase IV SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-08-07 US disclosed
US-7838528-B2 Substituted bicyclic 8-pyrrolidinoxanthines, methods for their production, pharmaceutical formulations and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-23 US disclosed
US-20070265284-A1 SUBSTITUTED 8-AMINOALKYLTHIOXANTHINES, AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-11-15 US disclosed
US-20070167468-A1 SUBSTITUTED BICYCLIC 8-PYRR0LIDINOXANTHINES, METHODS FOR THEIR PRODUCTION, PHARMACEUTICAL FORMULATIONS AND THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-19 US disclosed
EP-1778689-A1 SUBSTITUTED 8-AMINOALKYLTHIO-XANTHINES, AND THE USE THEREOF AS INHIBITORS OF THE DIPEPTIDYL PEPTIDASE IV Sanofi-Aventis Deutschland GmbH (DE) 2007-05-02 EP disclosed
WO-2006015691-A1 SUBSTITUTED 8-AMINOALKYLTHIO-XANTHINES, AND THE USE THEREOF AS INHIBITORS OF THE DIPEPTIDYL PEPTIDASE IV SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-16 WO 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 (2 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-20070167468-A1 SUBSTITUTED BICYCLIC 8-PYRR0LIDINOXANTHINES, METHODS FOR THEIR PRODUCTION, PHARMACEUTICAL FORMULATIONS AND THEIR USE GPR119, INSR, GCKR RXFP1 2955/4885MEN1 4115/4885KMT2A 2792/4885
US-20070265284-A1 SUBSTITUTED 8-AMINOALKYLTHIOXANTHINES, AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV DPP4, DPP8, DPP7 RXFP1 3425/4885MEN1 3866/4885KMT2A 2721/4885

“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.