SCHEMBL6093494

SCHEMBL6093494

Nc1ncc2c(n1)CCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)O)C(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.39
F2 P00734 5/20 0.37
KDR P35968 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNH2 Q12809 1/20 0.35
XIAP P98170 2/20 0.34
MLX Q9UH92 1/20 0.34
BIRC2 Q13490 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
P2RY12 Q9H244 2/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL6094313 1.00 SCN4A (0.39) SCN4AF2KDRKDM4EMAPK1
SCHEMBL6178343 0.90 SCN4A (0.40) SCN4AF2KDRKDM4EMAPK1
SCHEMBL6180789 0.90 SCN4A (0.40) SCN4AF2KDRKDM4EMAPK1
Hydrochloric Acid SCHEMBL6092090 0.89 SCN4A (0.40) SCN4AF2KDRKDM4EMAPK1
Hydrochloric Acid SCHEMBL6094251 0.89 SCN4A (0.40) SCN4AF2KDRKDM4EMAPK1
SCHEMBL6094199 0.87 F2 (0.46) F2KDRXIAPMLXF10
SCHEMBL6093256 0.85 XIAP (0.46) XIAP
SCHEMBL6184253 0.84 SCN4A (0.41) SCN4AF2KDRKDM4EMAPK1
SCHEMBL6093257 0.83 SCN4A (0.58) SCN4AF2MAPK1DRD2DRD3
SCHEMBL6093041 0.83 KDM4E (0.39) SCN4AF2KDM4EMAPK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3774/4885F2 2/4885KDR 695/4885

“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.