SCHEMBL1797204

SCHEMBL1797204

O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.63
NPC1 O15118 5/20 0.61
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CACNA2D1 P54289 6/20 0.48
CACNA1B Q00975 6/20 0.48
CACNB1 Q02641 6/20 0.48
CACNA1C Q13936 2/20 0.48
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
MAOB P27338 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MITF O75030 1/20 0.47

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
SCHEMBL1798207 0.91 NPC1 (0.58) SERPINE1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17530200 0.83 SERPINE1 (0.60) SERPINE1NPC1KDM4ECACNA2D1CACNA1B
SCHEMBL1797251 0.83 SERPINE1 (0.73) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL17530219 0.82 SERPINE1 (0.59) SERPINE1NPC1KDM4ECACNA2D1CACNA1B
SCHEMBL1802052 0.80 NPC1 (0.54) SERPINE1NPC1KDM4ECACNA2D1CACNA1B
SCHEMBL1798984 0.77 SERPINE1 (1.00) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1798777 0.77 SERPINE1 (0.79) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1795766 0.77 SERPINE1 (0.70) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1796138 0.77 SERPINE1 (0.79) SERPINE1NPC1KDM4ECACNA2D1CACNA1B
SCHEMBL1794879 0.77 SERPINE1 (0.79) SERPINE1NPC1CACNA2D1CACNA1BCACNB1

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
US-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US claimed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 US claimed
US-10092537-B2 Use for PAI-1 inhibitor RENASCIENCE CO., LTD. (JP) 2018-10-09 US disclosed
US-20160158188-A1 NOVEL USE FOR PAI-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2016-06-09 US disclosed
EP-2990057-A1 NOVEL USE FOR PAI-1 INHIBITOR Renascience Co., Ltd. (JP) 2016-03-02 EP disclosed
US-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 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 (3 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-20160158188-A1 NOVEL USE FOR PAI-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885NPC1 2092/4885RAB9A 2760/4885
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885NPC1 1319/4885RAB9A 2391/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885NPC1 1925/4885RAB9A 2814/4885

“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.