Xanthene

Xanthene

SCHEMBL2478466

Cl.Cl.c1ccc2c(c1)Cc1ccccc1O2

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Xanthene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA known ✓ P21397 3/20 0.94
MAOB known ✓ P27338 2/20 0.94
GAA known ✓ P10253 1/20 0.50
HTR2A known ✓ P28223 1/20 0.37
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPKAPK2 P49137 1/20 0.43
ACSL1 P33121 1/20 0.41
ALOX5 P09917 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
OXTR P30559 1/20 0.38
CYP1A2 P05177 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
Xanthene SCHEMBL11600668 1.00 MAOA (0.94) MAOAMAOBGAANPSR1NPC1
Xanthene SCHEMBL11602030 0.97 MAOA (0.90) MAOAMAOBGAANPSR1NPC1
Xanthene SCHEMBL27493963 0.97 MAOA (1.00) MAOAMAOBGAANPSR1NPC1
Xanthene SCHEMBL4267 0.97 MAOA (1.00) MAOAMAOBGAANPSR1NPC1
Xanthene SCHEMBL29378346 0.97 MAOA (1.00) MAOAMAOBGAANPSR1NPC1
Xanthene SCHEMBL9339684 0.97 MAOA (1.00) MAOAMAOBGAANPSR1NPC1
Xanthene SCHEMBL30586075 0.97 MAOA (1.00) MAOAMAOBGAANPSR1NPC1
Xanthene SCHEMBL23355281 0.94 MAOA (0.94) MAOAMAOBGAANPSR1NPC1
Xanthene SCHEMBL6192065 0.94 MAOA (0.94) MAOAMAOBGAANPSR1NPC1
Xanthene SCHEMBL11214757 0.94 MAOA (0.94) MAOAMAOBGAANPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327874-A2 3,6-DISUBSTITUTED XANTHYLIUM SALTS WisTa Laboratories Ltd. (SG) 2024-02-28 EP claimed
CN-102307878-A 3, 6-disubstituted xanthylium salts WISTA LAB LTD 2012-01-04 CN claimed
EP-4327874-A2 3,6-DISUBSTITUTED XANTHYLIUM SALTS WisTa Laboratories Ltd. (SG) 2024-02-28 EP disclosed
EP-3689346-B1 3,6-DISUBSTITUTED XANTHYLIUM SALTS FOR TREATING TAUOPATHIES WISTA LAB LTD (SG) 2024-01-24 EP disclosed
EP-3689346-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WisTa Laboratories Ltd. (SG) 2020-08-05 EP disclosed
EP-3112358-B1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WISTA LAB LTD (SG) 2020-04-29 EP disclosed
US-10399955-B2 3,6-disubstituted xanthylium salts WISTA LABORATORIES LTD. (SG) 2019-09-03 US disclosed
US-20170088534-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WISTA LABORATORIES LTD. (SG) 2017-03-30 US disclosed
US-9549933-B2 3,6-disubstituted xanthylium salts WISTA LABORATORIES LTD. (SG) 2017-01-24 US disclosed
EP-3112358-A2 3,6-DISUBSTITUTED XANTHYLIUM SALTS WisTa Laboratories Ltd. (SG) 2017-01-04 EP disclosed
EP-2373660-B1 3,6-DISUBSTITUTED XANTHYLIUM SALTS AS MEDICAMENTS WISTA LAB LTD (SG) 2016-08-17 EP disclosed
CN-102307878-B 3, 6-disubstituted xanthylium salts WISTA LABORATORIES LTD. (SG) 2014-10-15 CN disclosed
US-20140161731-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WISTA LABORATORIES LTD. (SG) 2014-06-12 US disclosed
US-8658665-B2 3,6-disubstituted xanthylium salts and use thereof in treatment of tauopathies WISTA LABORATORIES LTD. (SG) 2014-02-25 US disclosed
CN-102307878-A 3, 6-disubstituted xanthylium salts WISTA LAB LTD 2012-01-04 CN disclosed
US-20110300074-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WISTA LABORATORIES LTD. (SG) 2011-12-08 US disclosed
EP-2373660-A2 3,6-DISUBSTITUTED XANTHYLIUM SALTS AS MEDICAMENTS Wista Laboratories Ltd. (SG) 2011-10-12 EP disclosed
WO-2010067078-A2 3,6-DISUBSTITUTED XANTHYLIUM SALTS AS MEDICAMENTS WISTA LABORATORIES LTD. (SG) 2010-06-17 WO 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-20140161731-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS MAPT, PSEN2, PSEN1 MAOA 1705/4885MAOB 1473/4885GAA 385/4885
US-10399955-B2 3,6-disubstituted xanthylium salts MAPT, PSEN2, PSEN1 MAOA 1705/4885MAOB 1473/4885GAA 385/4885
US-20170088534-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS MAPT, PSEN2, PSEN1 MAOA 1705/4885MAOB 1473/4885GAA 385/4885
US-20110300074-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS MAPT, PSEN2, PSEN1 MAOA 184/4885MAOB 195/4885GAA 77/4885

“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.