SCHEMBL416992

SCHEMBL416992

O=C(Nc1ccc(C#CC2CCCCC2)cc1C(=O)O)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 7/20 0.66
DEGS1 O15121 2/20 0.48
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC1 Q13547 1/20 0.43
KDM1A O60341 1/20 0.43
ITK Q08881 1/20 0.42
NAMPT P43490 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
ALB P02768 1/20 0.41

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
SCHEMBL29838650 1.00 SERPINE1 (0.66) SERPINE1DEGS1HDAC8HDAC6HDAC3
SCHEMBL418422 0.89 SERPINE1 (0.52) SERPINE1DEGS1HDAC8HDAC6HDAC3
SCHEMBL416727 0.86 SERPINE1 (0.70) SERPINE1DEGS1HDAC8HDAC6HDAC3
SCHEMBL29838729 0.84 SERPINE1 (0.81) SERPINE1DEGS1HDAC8HDAC6HDAC3
SCHEMBL422315 0.84 SERPINE1 (0.81) SERPINE1DEGS1HDAC8HDAC6HDAC3
SCHEMBL419221 0.84 SERPINE1 (0.67) SERPINE1
SCHEMBL419193 0.80 SERPINE1 (1.00) SERPINE1DEGS1HDAC8HDAC6HDAC3
SCHEMBL419028 0.77 SERPINE1 (0.66) SERPINE1ALB
SCHEMBL420921 0.76 SERPINE1 (0.51) SERPINE1DEGS1HDAC8HDAC6HDAC3
SCHEMBL419124 0.74 SERPINE1 (0.66) SERPINE1DEGS1HDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607348-B1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE INC (JP) 2021-03-17 EP disclosed
EP-2990057-B1 PAI-1 INHIBITOR FOR USE IN ENHANCING THE ANTITUMOR EFFECT OF AN ANTITUMOR AGENT IN A PATIENT RENASCIENCE CO LTD (JP) 2019-03-20 EP disclosed
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-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO LTD (JP) 2014-10-02 US disclosed
US-8785473-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2014-07-22 US disclosed
EP-2607348-A2 Plasminogen Activator Inhibitor-1 Inhibitor Renascience CO., LTD. (JP) 2013-06-26 EP disclosed
EP-2415755-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Renascience CO., LTD. (JP) 2012-02-08 EP disclosed
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE CO., LTD. (JP) 2012-01-26 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 (4 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 1/4885DEGS1 2862/4885HDAC8 897/4885
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885DEGS1 3681/4885HDAC8 1012/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885DEGS1 3681/4885HDAC8 1012/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885DEGS1 2752/4885HDAC8 981/4885

“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.