SCHEMBL418477

SCHEMBL418477

O=C(Nc1ccc(Cl)cc1C(=O)[O-])c1ccc(OCc2ccc3ccccc3n2)cc1.[Na+]

nearest known ligand 0.55

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 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 known ✓ Q9Y271 6/20 0.49
SERPINE1 P05121 4/20 0.55
GPBAR1 Q8TDU6 3/20 0.54
CYSLTR2 Q9NS75 2/20 0.49
PDE10A Q9Y233 2/20 0.48

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
SCHEMBL418121 0.91 SERPINE1 (0.63) SERPINE1GPBAR1CYSLTR1CYSLTR2
SCHEMBL420127 0.90 GPBAR1 (0.62) SERPINE1GPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL418478 0.90 GPBAR1 (0.61) SERPINE1GPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL419380 0.89 CYSLTR1 (0.57) SERPINE1GPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL418541 0.81 CYSLTR1 (0.67) SERPINE1GPBAR1CYSLTR1CYSLTR2
SCHEMBL418122 0.80 CYSLTR1 (0.66) SERPINE1GPBAR1CYSLTR1CYSLTR2
SCHEMBL418778 0.80 CYSLTR1 (0.68) GPBAR1CYSLTR1
SCHEMBL9581625 0.79 GPBAR1 (0.76) GPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL3534448 0.76 GPBAR1 (0.74) GPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL9631880 0.75 ALDH1A1 (0.59) GPBAR1CYSLTR1PDE10A

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 CYSLTR1 1815/4885SERPINE1 1/4885GPBAR1 4537/4885
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 CYSLTR1 856/4885SERPINE1 1/4885GPBAR1 2224/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 CYSLTR1 856/4885SERPINE1 1/4885GPBAR1 2224/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 CYSLTR1 1966/4885SERPINE1 1/4885GPBAR1 4396/4885

“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.