SCHEMBL1798749

SCHEMBL1798749

O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(-c2ccc(F)cc2)cc1C(=O)[O-].[Na+]

nearest known ligand 0.63

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 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.63
NPC1 O15118 1/20 0.52
CACNA2D1 P54289 6/20 0.48
CACNA1B Q00975 6/20 0.48
CACNB1 Q02641 6/20 0.48
CACNA1C Q13936 3/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 2/20 0.42
CACNA1H O95180 1/20 0.41
GRM5 P41594 1/20 0.40
CACNA1G O43497 1/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP7 Q9UHL4 1/20 0.39
FAP Q12884 1/20 0.39
DPP9 Q86TI2 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1799387 0.95 SERPINE1 (0.67) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1798067 0.92 SERPINE1 (0.74) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL17530180 0.91 SERPINE1 (0.73) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1797161 0.91 SERPINE1 (0.61) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1795905 0.91 SERPINE1 (0.62) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1799006 0.90 SERPINE1 (0.61) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1798420 0.90 SERPINE1 (0.63) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1799443 0.89 SERPINE1 (0.61) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1795223 0.89 SERPINE1 (0.61) SERPINE1NPC1CACNA2D1CACNA1BCACNB1
SCHEMBL1795143 0.88 SERPINE1 (0.59) SERPINE1NPC1CACNA2D1CACNA1BCACNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2990057-A1 NOVEL USE FOR PAI-1 INHIBITOR Renascience Co., Ltd. (JP) 2016-03-02 EP disclosed
US-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 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 (1 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-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 SERPINE1 1/4885NPC1 1319/4885CACNA2D1 3723/4885

“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.