SCHEMBL4878644

SCHEMBL4878644

CC(C)(C)n1nc2c(c1NC(=O)c1cccc3ccccc13)CSC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.66
PDE2A O00408 2/20 0.61
PDE6D O43924 2/20 0.61
PDE8A O60658 2/20 0.61
PDE5A O76074 2/20 0.61
PDE9A O76083 2/20 0.61
PDE8B O95263 2/20 0.61
PDE6A P16499 2/20 0.61
PDE6G P18545 2/20 0.61
PDE4A P27815 2/20 0.61
PDE6B P35913 2/20 0.61
PDE6C P51160 2/20 0.61
PDE1A P54750 2/20 0.61
PDE1B Q01064 2/20 0.61
PDE4B Q07343 2/20 0.61
PDE4C Q08493 2/20 0.61
PDE4D Q08499 2/20 0.61
PDE3B Q13370 2/20 0.61
PDE7A Q13946 2/20 0.61
PDE6H Q13956 2/20 0.61

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
SCHEMBL4878334 0.82 ALDH1A1 (0.67) ENPP2ALDH1A1USP2HTTSMN1; SMN2
SCHEMBL24176341 0.79 ENPP2 (1.00) ENPP2PDE2APDE6DPDE8APDE5A
SCHEMBL24176321 0.78 ENPP2 (1.00) ENPP2PDE2APDE6DPDE8APDE5A
SCHEMBL4878792 0.78 ALDH1A1 (0.66) ENPP2ALDH1A1USP2HTTSMN1; SMN2
SCHEMBL4881700 0.77 HTT (0.67) ENPP2PDE2APDE6DPDE8APDE5A
SCHEMBL29392391 0.77 HTT (0.67) ENPP2PDE2APDE6DPDE8APDE5A
SCHEMBL24176468 0.77 ENPP2 (0.76) ENPP2PDE2APDE6DPDE8APDE5A
SCHEMBL24176473 0.76 ENPP2 (1.00) ENPP2PDE2APDE6DPDE8APDE5A
SCHEMBL4880697 0.75 HTT (0.61) ENPP2ALDH1A1USP2HTTSMN1; SMN2
SCHEMBL4883014 0.73 USP2 (0.62) ENPP2ALDH1A1USP2HTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 US disclosed
EP-1698335-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR DISEASE IN WHICH MITOCHONDRIAL BENZODIAZEPINE RECEPTOR PARTICIPATES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates MTNR1A, GSR, NLN ENPP2 2226/4885PDE2A 1933/4885PDE6D 3045/4885

“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.