SCHEMBL3395148

SCHEMBL3395148

COc1c[c]c(Br)c(OC)c1OCCl

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3396275 0.87 SMN1; SMN2 (0.33)
SCHEMBL3393674 0.84 HTR2A (0.38) KDM4EALDH1A1
SCHEMBL311915 0.83 ACHE (0.34) ALDH1A1
SCHEMBL3393879 0.83
SCHEMBL3392781 0.81 SMN1; SMN2 (0.41) ALDH1A1
SCHEMBL3393578 0.80 SMN1; SMN2 (0.37) ALDH1A1
SCHEMBL3393898 0.79 MGAM (0.39) KDM4EALDH1A1
SCHEMBL3393889 0.78 PDE4D (0.38) TDP1
SCHEMBL3396273 0.75
SCHEMBL27803696 0.74 CA2 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 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 (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-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 KDM4E 3577/4885ALDH1A1 827/4885TDP1 587/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 KDM4E 3577/4885ALDH1A1 827/4885TDP1 587/4885

“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.