SCHEMBL3308523

SCHEMBL3308523

COc1ccc(-c2[nH]nnc2-c2cc(OC)c3c(c2)OCO3)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39

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
Hydrochloric Acid SCHEMBL413421 0.99 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL413252 0.89 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL410372 0.87 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL31237366 0.86 ALDH1A1 (0.60) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL413158 0.85 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL3304242 0.85 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL14401643 0.85 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL13041139 0.85 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL410842 0.84 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL13041133 0.84 MAPT (0.43) ALDH1A1MAPTKMT2AKDM4EMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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 95/4885KMT2A 2808/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK ALDH1A1 414/4885MAPT 4120/4885KMT2A 3944/4885

“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.