SCHEMBL418422

SCHEMBL418422

COC(=O)c1cc(C#CC2CCCCC2)ccc1NC(=O)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.52
DEGS1 O15121 2/20 0.46
PDE5A O76074 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
MCHR1 Q99705 6/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
HDAC1 Q13547 1/20 0.41
ITK Q08881 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL416992 0.89 SERPINE1 (0.66) SERPINE1DEGS1HDAC8HDAC6HDAC3
SCHEMBL29838650 0.89 SERPINE1 (0.66) SERPINE1DEGS1HDAC8HDAC6HDAC3
SCHEMBL420921 0.87 SERPINE1 (0.51) SERPINE1DEGS1PDE5AHDAC8HDAC6
SCHEMBL418515 0.87 SERPINE1 (0.54) SERPINE1DEGS1PDE5AHDAC8HDAC6
SCHEMBL418111 0.85 SERPINE1 (0.53) SERPINE1PDE5AALDH1A1HPGD
SCHEMBL420439 0.82 SERPINE1 (0.58) SERPINE1DEGS1PDE5AHDAC8HDAC6
SCHEMBL418773 0.81 SERPINE1 (0.77) SERPINE1DEGS1HDAC8HDAC6HDAC3
SCHEMBL417528 0.81 SERPINE1 (0.57) SERPINE1DEGS1PDE5AHDAC8HDAC6
SCHEMBL421502 0.78 SERPINE1 (0.52) SERPINE1PDE5AKDM4EALDH1A1POLB
SCHEMBL30206902 0.78 ALDH1A1 (0.46) SERPINE1KDM4EALDH1A1HPGDPOLB

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 6 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
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 (2 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-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885DEGS1 3681/4885PDE5A 1397/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885DEGS1 3681/4885PDE5A 1397/4885

“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.