SCHEMBL6093903

SCHEMBL6093903

Nc1nc2c(s1)CC(NC(=O)[C@@H]1CCCN1C(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 5/20 0.61
SCN3A Q9NY46 5/20 0.47
SCN5A Q14524 2/20 0.47
SCN9A Q15858 4/20 0.45
F2 P00734 4/20 0.41
F10 P00742 2/20 0.41
CHRM3 P20309 1/20 0.41
DRD2 P14416 3/20 0.40
HRH2 P25021 3/20 0.40
DRD3 P35462 3/20 0.40
HRH1 P35367 2/20 0.40
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD4 P21917 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL6179403 0.79 SCN4A (0.60) SCN4ASCN3ASCN5ASCN9AF2
Hydrochloric Acid SCHEMBL6094258 0.79 SCN4A (0.59) SCN4ASCN3ASCN5ASCN9AF2
SCHEMBL6180060 0.78 SCN4A (0.61) SCN4ASCN3ASCN5ASCN9AF2
Hydrochloric Acid SCHEMBL6092452 0.78 SCN4A (0.60) SCN4ASCN3ASCN5ASCN9AF2
SCHEMBL6092937 0.77 SCN4A (0.57) SCN4ASCN3ASCN5ASCN9AF2
SCHEMBL6093257 0.76 SCN4A (0.58) SCN4ASCN3ASCN5ASCN9AF2
SCHEMBL6181602 0.75 SCN4A (0.61) SCN4ASCN3ASCN5ASCN9AF2
SCHEMBL6093799 0.74 SCN4A (0.54) SCN4ASCN3AF2F10
SCHEMBL6092954 0.73 ACE (0.49) CHRM3
SCHEMBL6094815 0.72 SCN4A (0.51) SCN4ASCN3ASCN5AF2F10

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 8 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
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 3213/4885SCN5A 2786/4885

“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.