SCHEMBL6094527

SCHEMBL6094527

Nc1nc2ccc(NC(=O)CNC(=O)O)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.58
LDHA P00338 4/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
Hydrochloric Acid SCHEMBL6093737 0.83 CA1 (0.67) EPHX2LDHANPC1RAB9ACA1
SCHEMBL9722829 0.83 RAB9A (0.64) EPHX2LDHANPC1RAB9ACA1
SCHEMBL6093198 0.83 EPHX2 (0.51) EPHX2LDHANPC1RAB9ACA1
SCHEMBL30136375 0.79 EPHX2 (0.68) EPHX2LDHANPC1RAB9ACA1
SCHEMBL24104135 0.79 EPHX2 (0.68) EPHX2LDHANPC1RAB9ACA1
SCHEMBL558100 0.78 LDHA (0.71) EPHX2LDHANPC1RAB9ALMNA
SCHEMBL24104684 0.77 EPHX2 (0.78) EPHX2NPC1RAB9ALMNAALDH1A1
SCHEMBL30136374 0.77 EPHX2 (0.78) EPHX2NPC1RAB9ALMNAALDH1A1
SCHEMBL6094155 0.76 CYP2D6 (0.47) EPHX2NPC1RAB9ACA1CA2
SCHEMBL9722750 0.76 NPC1 (0.76) EPHX2NPC1RAB9ALMNAALDH1A1

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 5 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 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 EPHX2 769/4885LDHA 3244/4885NPC1 2040/4885

“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.