SCHEMBL6092192

SCHEMBL6092192

Nc1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)O)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.56
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD11B1 P28845 2/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43

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
SCHEMBL6093293 0.80 F2 (0.46) EPHX2HTTLMNAALDH1A1HPGD
SCHEMBL4381414 0.80 HTT (0.49) HTTALDH1A1
SCHEMBL21709935 0.78 EPHX2 (0.71) EPHX2LMNAALDH1A1HPGDNPC1
SCHEMBL6093993 0.77 MAP4K4 (0.53) HTTALDH1A1
SCHEMBL2442864 0.76 HTT (0.54) HTTALDH1A1ALOX12NPC1
SCHEMBL1641876 0.76 HTT (0.44) EPHX2HTTL3MBTL1LMNAALDH1A1
SCHEMBL7474942 0.75 TRPV1 (0.50) HTTLMNAALDH1A1NPC1RAB9A
SCHEMBL7474949 0.75 TRPV1 (0.50) HTTLMNAALDH1A1NPC1RAB9A
SCHEMBL4096438 0.75 HTT (0.67) HTTALDH1A1NPC1RAB9A
SCHEMBL25333202 0.74 SMN1; SMN2 (0.61) HTTL3MBTL1LMNAALDH1A1HPGD

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 769/4885HTT 1123/4885L3MBTL1 4139/4885

“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.