SCHEMBL3464313

SCHEMBL3464313

CC(C)N(CCCn1cnc(C(N)=O)c1N)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
AAK1 Q2M2I8 2/20 0.33
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL3465164 0.77 AAK1 (0.32) AAK1
SCHEMBL3466321 0.70 MEN1 (0.34) ALDH1A1AAK1CPB2
SCHEMBL8570722 0.69 ALDH1A1 (0.51) ALDH1A1LMNA
SCHEMBL3465845 0.69 CYP1A2 (0.49) ALDH1A1LMNA
SCHEMBL13215105 0.68 HDAC6 (0.36) AAK1
SCHEMBL6024012 0.67 LMNA (0.49) ALDH1A1LMNA
SCHEMBL1859771 0.66 CA14 (0.40)
SCHEMBL18619385 0.66 CA14 (0.40)
SCHEMBL8328107 0.65 HDAC6 (0.36) AAK1
SCHEMBL7959585 0.65 TDP1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
EP-2183221-A1 NEW COMPOUNDS AS HSP90 INHIBITORS Crystax Pharmaceuticals S.L. (ES) 2010-05-12 EP disclosed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 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 (1 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-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 ALDH1A1 1875/4885LMNA 4322/4885AAK1 2471/4885

“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.