SCHEMBL412281

SCHEMBL412281

COc1cc(-c2nn[nH]c2-c2ccc([O-])cc2)cc(OC)c1OC.[Na+]

nearest known ligand 0.47

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
TUBB4A known ✓ P04350 2/20 0.43
TUBB known ✓ P07437 2/20 0.43
TUBA3C known ✓ P0DPH7 2/20 0.43
TUBA1B known ✓ P68363 2/20 0.43
TUBA4A known ✓ P68366 2/20 0.43
TUBB4B known ✓ P68371 2/20 0.43
TUBB3 known ✓ Q13509 2/20 0.43
TUBB2A known ✓ Q13885 2/20 0.43
TUBB8 known ✓ Q3ZCM7 2/20 0.43
TUBA3E known ✓ Q6PEY2 2/20 0.43
TUBA1A known ✓ Q71U36 2/20 0.43
TUBA1C known ✓ Q9BQE3 2/20 0.43
TUBB6 known ✓ Q9BUF5 2/20 0.43
TUBB2B known ✓ Q9BVA1 2/20 0.43
TUBB1 known ✓ Q9H4B7 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL407089 0.86 GAK (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL408099 0.86 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL411698 0.86 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL411640 0.86 KDM4E (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL414049 0.85 ACHE (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL410428 0.85 FYN (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13041108 0.85 KDR (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL411388 0.85 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14619539 0.85 KDM4E (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL409160 0.83 TUBB1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 TUBB4A 18/4885TUBB 8/4885TUBA3C 74/4885
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 TUBB4A 18/4885TUBB 8/4885TUBA3C 74/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK TUBB4A 56/4885TUBB 86/4885TUBA3C 236/4885
US-20130338112-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 TUBB4A 18/4885TUBB 8/4885TUBA3C 74/4885

“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.