SCHEMBL12341925

SCHEMBL12341925

COc1ccc(-c2conc2-c2cc(OC)c3c(c2)OCO3)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HTT P42858 1/20 0.45
APP P05067 1/20 0.40
ACHE P22303 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
EDNRB P24530 3/20 0.37
EDNRA P25101 3/20 0.37
CYP3A4 P08684 3/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL12339069 0.90 ACHE (0.38) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL1167549 0.88 MAPT (0.46) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL1167808 0.83 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL1168795 0.82 MEN1 (0.41) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL10242362 0.82 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL1168099 0.82 TUBB4A (0.46) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL412948 0.82 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL1168194 0.81 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL12338682 0.79 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL1168473 0.79 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EHPGDMEN1

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 7 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 1872/4885MAPT 95/4885KDM4E 2492/4885
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 ALDH1A1 1872/4885MAPT 95/4885KDM4E 2492/4885
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 ALDH1A1 1872/4885MAPT 95/4885KDM4E 2492/4885

“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.