SCHEMBL6092937

SCHEMBL6092937

Nc1nc2c(s1)CC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)O)CC2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.57
SCN3A Q9NY46 3/20 0.49
F2 P00734 3/20 0.45
F10 P00742 1/20 0.45
SCN9A Q15858 2/20 0.44
SCN5A Q14524 1/20 0.44
XIAP P98170 2/20 0.43
DRD2 P14416 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL6095893 0.90 SCN4A (0.53) SCN4ASCN3AF2F10SCN9A
SCHEMBL6179403 0.90 SCN4A (0.60) SCN4ASCN3AF2F10SCN9A
Hydrochloric Acid SCHEMBL6094258 0.89 SCN4A (0.59) SCN4ASCN3AF2F10SCN9A
SCHEMBL6093799 0.89 SCN4A (0.54) SCN4ASCN3AF2F10
SCHEMBL6092296 0.85 SCN4A (0.50) SCN4AF2F10
SCHEMBL6093257 0.85 SCN4A (0.58) SCN4ASCN3AF2F10SCN9A
SCHEMBL6093256 0.83 XIAP (0.46) XIAP
SCHEMBL6180060 0.82 SCN4A (0.61) SCN4ASCN3AF2F10SCN9A
SCHEMBL6094669 0.82 SCN4A (0.48) SCN4ASCN3AF2F10XIAP
SCHEMBL6094815 0.82 SCN4A (0.51) SCN4ASCN3AF2F10SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US claimed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP claimed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US claimed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP claimed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 WO claimed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 SCN4A 3774/4885SCN3A 3213/4885F2 2/4885

“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.