SCHEMBL3466321

SCHEMBL3466321

CC(C)N(CCCn1c(Sc2ccc3ccccc3c2)nc(C(N)=O)c1N)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
EPHX1 P07099 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
SRC P12931 2/20 0.33
RIPK2 O43353 2/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CPB2 Q96IY4 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL3465430 0.82 MEN1 (0.34) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL3466454 0.81 RAB9A (0.37) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL3464165 0.78 HSP90B1 (0.44) MEN1KMT2AEPHX1SIRT2SIRT1
SCHEMBL3465845 0.78 CYP1A2 (0.49) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL3464531 0.78 HSP90AA1 (0.47)
SCHEMBL3464441 0.78
SCHEMBL3464437 0.78 HSP90AA1 (0.46)
SCHEMBL3465164 0.77 AAK1 (0.32) MEN1KMT2AAAK1
SCHEMBL3464313 0.70 ALDH1A1 (0.41) CPB2AAK1ALDH1A1
SCHEMBL18460273 0.69 HSP90AA1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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 1 patent. 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

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 MEN1 4594/4885KMT2A 4661/4885EPHX1 4081/4885

“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.