SCHEMBL410751

SCHEMBL410751

COc1cc(-c2[nH]nnc2-c2cc(OC)c3c(c2)OCO3)cc(OP(=O)([O-])[O-])c1OC.[Na+].[Na+]

nearest known ligand 0.40

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
EDNRB known ✓ P24530 2/20 0.36
EDNRA known ✓ P25101 2/20 0.36
TUBB4A known ✓ P04350 1/20 0.35
TUBB known ✓ P07437 1/20 0.35
TUBA3C known ✓ P0DPH7 1/20 0.35
TUBA1B known ✓ P68363 1/20 0.35
TUBA4A known ✓ P68366 1/20 0.35
TUBB4B known ✓ P68371 1/20 0.35
TUBB3 known ✓ Q13509 1/20 0.35
TUBB2A known ✓ Q13885 1/20 0.35
TUBB8 known ✓ Q3ZCM7 1/20 0.35
TUBA3E known ✓ Q6PEY2 1/20 0.35
TUBA1A known ✓ Q71U36 1/20 0.35
TUBA1C known ✓ Q9BQE3 1/20 0.35
TUBB6 known ✓ Q9BUF5 1/20 0.35
TUBB2B known ✓ Q9BVA1 1/20 0.35
TUBB1 known ✓ Q9H4B7 1/20 0.35
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 5/20 0.40

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
SCHEMBL13041140 0.90 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL410750 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL412480 0.87 KDM4E (0.43) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL410275 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL412573 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL411301 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL4096695 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL13041153 0.80 MEN1 (0.48) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL410842 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL412865 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
US-20130338112-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2013-12-19 US disclosed
US-8501790-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-06 US disclosed
EP-1919881-B1 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2013-04-10 EP disclosed
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 US disclosed
US-20100279410-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2010-11-04 US disclosed
US-7781462-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-08-24 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 US disclosed
EP-2059250-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS Synta Pharmaceuticals Corporation (US) 2009-05-20 EP disclosed
EP-1919881-A1 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS Synta Pharmaceuticals Corporation (US) 2008-05-14 EP disclosed
WO-2008033449-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS SYNTA PHARMACEUTICALS CORP. (US) 2008-03-20 WO disclosed
US-20070238699-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-10-11 US disclosed
WO-2007014198-A1 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2007-02-01 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-20070238699-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 EDNRB 519/4885EDNRA 987/4885TUBB4A 18/4885
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 EDNRB 519/4885EDNRA 987/4885TUBB4A 18/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK EDNRB 48/4885EDNRA 59/4885TUBB4A 56/4885
US-20130338112-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 EDNRB 519/4885EDNRA 987/4885TUBB4A 18/4885

“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.