SCHEMBL411315

SCHEMBL411315

COc1ccc(-c2[nH]nnc2-c2cc(OC)c3c(c2)OCO3)cc1C(=O)[O-].[Na+]

nearest known ligand 0.42

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 6/20 0.37
EDNRA known ✓ P25101 6/20 0.37
THRB known ✓ P10828 2/20 0.35
SYK known ✓ P43405 1/20 0.33
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
POLB P06746 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3297139 0.91 ALDH1A1 (0.45) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL13041133 0.91 MAPT (0.43) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL411316 0.90 ALDH1A1 (0.44) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL410022 0.90 MAPT (0.42) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL413158 0.85 ALDH1A1 (0.42) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL410842 0.84 ALDH1A1 (0.48) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL10189768 0.84 MAPT (0.36) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL410873 0.83 KMT2A (0.41) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL3308523 0.83 ALDH1A1 (0.46) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL410372 0.83 ALDH1A1 (0.46) MAPTALDH1A1KMT2AHPGDMEN1

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 987/4885THRB 1189/4885
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 EDNRB 519/4885EDNRA 987/4885THRB 1189/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK EDNRB 48/4885EDNRA 59/4885THRB 2952/4885
US-20130338112-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 EDNRB 519/4885EDNRA 987/4885THRB 1189/4885

“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.