SCHEMBL2133127

SCHEMBL2133127

CCCC(=O)N1CCOC(c2ccncc2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
RAB9A P51151 2/20 0.39
DRD3 P35462 6/20 0.38
GSK3B P49841 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
USP30 Q70CQ3 2/20 0.38
NAMPT P43490 1/20 0.37
RECQL P46063 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2133873 0.87 USP30 (0.49) PDE4BRAB9ADRD3USP30NAMPT
SCHEMBL2137111 0.80 USP30 (0.47) DRD3USP30SMN1; SMN2
SCHEMBL2133733 0.79 USP30 (0.47) DRD3USP30SMN1; SMN2
SCHEMBL29569721 0.76 USP30 (0.46) PDE4BUSP30RECQLSMN1; SMN2
SCHEMBL14035660 0.76 USP30 (0.51) RAB9ADRD3USP30
SCHEMBL19002794 0.74 DRD3 (0.47) RAB9ADRD3SMN1; SMN2
SCHEMBL28807580 0.74 EPHX2 (0.43) DRD3CYP1A2CYP2D6USP30
SCHEMBL19002793 0.74 MEN1 (0.46) DRD3GSK3BCYP1A2CYP2D6NAMPT
SCHEMBL19002796 0.74 EPHX2 (0.43) DRD3USP30
SCHEMBL25517300 0.73 GLA (0.53) RAB9AUSP30NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 US disclosed
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 US disclosed
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 US disclosed
EP-2445495-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS Bioversys AG (CH) 2012-05-02 EP disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 US disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 US disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 US disclosed
WO-2010149761-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BIOVERSYS GMBH (CH) 2010-12-29 WO disclosed
WO-2010149761-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BIOVERSYS GMBH (CH) 2010-12-29 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 (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-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS PRMT7, NCOA3, PRMT3 PDE4B 3184/4885RAB9A 1972/4885DRD3 171/4885

“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.