SCHEMBL420161

SCHEMBL420161

O=C(Nc1ccc(Cl)cc1C(=O)[O-])c1cccc(-c2cnc3ccccc3c2)c1.[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 3/20 0.52
F10 known ✓ P00742 1/20 0.47
SERPINE1 P05121 8/20 1.00
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
MAP4K4 O95819 1/20 0.52
CSNK1G2 P78368 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
MAP4K5 Q9Y4K4 1/20 0.52
PPARA Q07869 1/20 0.52
MMP9 P14780 1/20 0.49
SUCNR1 Q9BXA5 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.47
WDR5 P61964 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
SCHEMBL420631 0.90 SERPINE1 (0.82) SERPINE1CNR1CNR2MAP4K4CSNK1G2
SCHEMBL420162 0.89 SERPINE1 (0.80) SERPINE1CNR1CNR2MAP4K4CSNK1G2
SCHEMBL418848 0.88 SERPINE1 (0.79) SERPINE1PPARGPPARASUCNR1AKR1C4
SCHEMBL419421 0.87 SERPINE1 (0.78) SERPINE1CNR1CNR2MAP4K4CSNK1G2
SCHEMBL418263 0.80 SERPINE1 (1.00) SERPINE1PPARGPPARAMMP9SUCNR1
SCHEMBL416775 0.80 SERPINE1 (0.71) SERPINE1CNR1PPARGPPARASUCNR1
SCHEMBL420754 0.79 SERPINE1 (1.00) SERPINE1PPARGPPARAAKR1C4AKR1C3
SCHEMBL29896767 0.79 SERPINE1 (1.00) SERPINE1PPARGPPARAAKR1C4AKR1C3
SCHEMBL420345 0.78 SERPINE1 (0.69) SERPINE1SUCNR1AKR1C4AKR1C3AKR1C2
SCHEMBL421056 0.78 SERPINE1 (1.00) SERPINE1PPARGPPARASUCNR1AKR1C4

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 11 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
CN-102378753-A Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO LTD 2012-03-14 CN 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 PPARG 3468/4885F10 78/4885SERPINE1 1/4885
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 PPARG 2361/4885F10 50/4885SERPINE1 1/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 PPARG 2361/4885F10 50/4885SERPINE1 1/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 PPARG 2983/4885F10 77/4885SERPINE1 1/4885

“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.