SCHEMBL417006

SCHEMBL417006

O=C(O)c1cc(Cl)ccc1NC(=O)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.63
SERPINE1 P05121 7/20 0.55
AKR1C4 P17516 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
PPARG P37231 3/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
TP53 P04637 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 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
SCHEMBL417240 0.87 HSP90AA1 (0.50) HSP90AA1ALDH1A1LMNAMAPTTSHR
SCHEMBL418103 0.78 SERPINE1 (0.71) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6628576 0.78 CYP2C9 (0.56) HSP90AA1ALDH1A1LMNAPPARGCYP2C9
SCHEMBL67699 0.77 HSP90AA1 (0.67) HSP90AA1ALDH1A1LMNAMAPTPPARG
SCHEMBL29638295 0.77 HSP90AA1 (0.67) HSP90AA1ALDH1A1LMNAMAPTPPARG
SCHEMBL31229252 0.77 HSP90AA1 (0.67) HSP90AA1ALDH1A1LMNAMAPTPPARG
SCHEMBL1309941 0.77 SERPINE1 (0.65) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4878848 0.76 NPC1 (0.58) ALDH1A1LMNAMAPTCYP2C9TSHR
SCHEMBL1308410 0.76 GFER (0.76) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
Hydrochloric Acid SCHEMBL6755698 0.76 HSP90AA1 (0.65) HSP90AA1ALDH1A1LMNAMAPTPPARG

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 HSP90AA1 1121/4885SERPINE1 1/4885AKR1C4 2154/4885
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 HSP90AA1 1378/4885SERPINE1 1/4885AKR1C4 744/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 HSP90AA1 1378/4885SERPINE1 1/4885AKR1C4 744/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 HSP90AA1 928/4885SERPINE1 1/4885AKR1C4 2000/4885

“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.