SCHEMBL13223166

SCHEMBL13223166

CC(=O)N1C[C@H](OC(=O)N2Cc3ccc(N4CCOCC4)nc3C2)C[C@H]1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
CASP1 P29466 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP7 P55210 2/20 0.39
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
ACACB O00763 3/20 0.34
ABHD6 Q9BV23 2/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
GAA P10253 3/20 0.31
TSHR P16473 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ATM Q13315 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PRKAB2 O43741 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
SCHEMBL13223164 0.91 HRH3 (0.36) KDM4EALDH1A1ABHD6HRH3ATM
SCHEMBL13223161 0.85 HSP90AA1 (0.41) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL13223226 0.83 MTOR (0.36) PIK3CAMTORMEN1KMT2A
SCHEMBL13223168 0.83 ALDH1A1 (0.38) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL13223159 0.83 ABHD6 (0.51) ABHD6HRH3
SCHEMBL13223188 0.81 KDM4E (0.33) KDM4ELMNAHRH3ATM
SCHEMBL13223213 0.81 CHEK1 (0.37) ABHD6HRH3ATM
SCHEMBL13223163 0.81 ATM (0.34) ABHD6HRH3ATM
SCHEMBL13223154 0.77 DPP8 (0.40) HRH3ATM
SCHEMBL13223035 0.76 NOTUM (0.45) HRH3ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 KDM4E 4021/4885ALDH1A1 135/4885HPGD 792/4885

“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.