SCHEMBL1167945

SCHEMBL1167945

COc1ccc(-c2nocc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CC(N)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3303162 0.88 AAK1 (0.42) ALDH1A1KDM4EMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL1168620 0.87 AAK1 (0.41) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL1167942 0.86 AAK1 (0.41) ALDH1A1MAPTNPSR1CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL4275865 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL3303248 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL1168347 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL615528 0.83 MEN1 (0.39) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL3299411 0.83 NPSR1 (0.43) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL12878812 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL12343243 0.82 AAK1 (0.40) ALDH1A1KDM4EMAPTCYP3A4CYP2C19

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-9090603-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2015-07-28 US disclosed
US-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2014-02-13 US disclosed
US-8598366-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2013-12-03 US disclosed
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-15 US disclosed
US-8269017-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2012-09-18 US disclosed
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2011-03-10 US disclosed
US-7884094-B2 antiproliferative agents such as 2-amino-N-(2-methoxy-5-[3- (3,4,5-trimethoxy-phenyl)- isoxazol-4-yl)-phenyl)-3- phenylpropanamide, that inhibit tubulin polymerization and/or target vasculature, usefeul for the treatment of cancer SYNTA PHARMACEUTICALS CORP. (US) 2011-02-08 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-1919882-A2 ISOXAZOLE COMBRETASTATIN DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE 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-20060217389-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2006-09-28 US disclosed
WO-2006089177-A2 ISOXAZOLE COMBRETASTIN DERIVATIVES FOR THE TREATMENT OF DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2006-08-24 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 (5 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-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 ALDH1A1 1872/4885KDM4E 2492/4885MEN1 1571/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK ALDH1A1 414/4885KDM4E 3414/4885MEN1 4135/4885
US-20060217389-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 ALDH1A1 1872/4885KDM4E 2492/4885MEN1 1571/4885
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 ALDH1A1 1872/4885KDM4E 2492/4885MEN1 1571/4885
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 ALDH1A1 1872/4885KDM4E 2492/4885MEN1 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.