SCHEMBL3393898

SCHEMBL3393898

C=CCOc1c(OC)c[c]c(Br)c1OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.39
GAA P10253 4/20 0.39
SI P14410 4/20 0.39
MGAM2 Q2M2H8 4/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL3393674 0.80 HTR2A (0.38) GAAPTGS2MEN1KMT2AHSD17B10
SCHEMBL311915 0.79 ACHE (0.34) PTGS2SMN1; SMN2ALDH1A1POLB
SCHEMBL3393879 0.79
SCHEMBL3395148 0.79 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL3392781 0.78 SMN1; SMN2 (0.41) MGAMGAASIMGAM2PTGS2
SCHEMBL3393578 0.76 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL3396275 0.76 SMN1; SMN2 (0.33) SMN1; SMN2LMNA
SCHEMBL3393889 0.74 PDE4D (0.38)
SCHEMBL27803696 0.70 CA2 (0.37) PTGS2SMN1; SMN2ALDH1A1POLB
SCHEMBL31432629 0.69 KDM4E (0.46) MGAMGAASIMGAM2PTGS1

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 MGAM 3116/4885GAA 788/4885SI 2266/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 MGAM 3116/4885GAA 788/4885SI 2266/4885

“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.