SCHEMBL411316

SCHEMBL411316

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 2/20 0.36
EDNRA P25101 6/20 0.36
EDNRB P24530 5/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
CFD P00746 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 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 0.99 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL13041133 0.91 MAPT (0.43) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL411315 0.90 MAPT (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL410022 0.90 MAPT (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL10189768 0.84 MAPT (0.36) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL410873 0.83 KMT2A (0.41) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3308523 0.83 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL410372 0.83 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL10243055 0.83 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3304242 0.83 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AHPGD

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 11 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-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
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 ALDH1A1 1872/4885MAPT 95/4885MEN1 1571/4885
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 ALDH1A1 1872/4885MAPT 95/4885MEN1 1571/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK ALDH1A1 414/4885MAPT 4120/4885MEN1 4135/4885
US-20130338112-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 ALDH1A1 1872/4885MAPT 95/4885MEN1 1571/4885

“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.