SCHEMBL3393578

SCHEMBL3393578

CCCCOc1c(OC)c[c]c(Br)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
SRC P12931 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33

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
SCHEMBL3392781 0.92 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL3393674 0.85 HTR2A (0.38) SMN1; SMN2ALDH1A1MEN1KMT2AHTT
SCHEMBL3396275 0.84 SMN1; SMN2 (0.33) SMN1; SMN2HPGDMAPTL3MBTL1LMNA
SCHEMBL311915 0.80 ACHE (0.34) SMN1; SMN2ALDH1A1HTTTUBB4ATUBB
SCHEMBL3393879 0.80
SCHEMBL3395148 0.80 KDM4E (0.30) ALDH1A1
SCHEMBL3393898 0.76 MGAM (0.39) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL7844096 0.75 SMN1; SMN2 (0.48) SMN1; SMN2SRCSLC6A5
SCHEMBL3393889 0.75 PDE4D (0.38) THRATHRB
SCHEMBL27803696 0.71 CA2 (0.37) SMN1; SMN2ALDH1A1HTTTUBB4ATUBB

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
CN-101906106-A New heterogeneous ring compound as the HSP90-inhibitor CONFORMA THERAPEUTICS CORP 2010-12-08 CN disclosed
CN-1882589-B Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP 2010-06-09 CN disclosed
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
CN-1882589-A Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP (US) 2006-12-20 CN 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 SMN1; SMN2 2444/4885THRA 3604/4885THRB 3527/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 SMN1; SMN2 2444/4885THRA 3604/4885THRB 3527/4885

“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.