SCHEMBL6156066

SCHEMBL6156066

NC(=O)c1ccc(NC2CCNCC2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.43
HSP90AB1 P08238 3/20 0.43
IRAK4 Q9NWZ3 1/20 0.41
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK14 Q16539 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CHEK2 O96017 1/20 0.40
BRD4 O60885 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
HCAR3 P49019 1/20 0.39

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
SCHEMBL6155256 0.84 TOP2A (0.42) TOP2AHSP90AB1IRAK4MAPK14AURKA
SCHEMBL6154506 0.84 ROCK2 (0.47) TOP2AHSP90AB1IRAK4MAPK14AURKA
SCHEMBL6154711 0.84 TOP2A (0.47) TOP2AHSP90AB1IRAK4MAPK14AURKA
SCHEMBL6154879 0.84 BRD4 (0.47) TOP2AHSP90AB1IRAK4MEN1CYP2D6
SCHEMBL6153952 0.82 DDR1 (0.53) TOP2AHSP90AB1
SCHEMBL6153347 0.81 PTK2 (0.41) TOP2AHSP90AB1IRAK4MAPK14
SCHEMBL6154636 0.80 TOP2A (0.46) TOP2AHSP90AB1
SCHEMBL4144350 0.77 IRAK4 (0.45) IRAK4AURKARPS6KB1BRD4ATAD2
SCHEMBL6156929 0.77 MAPK14 (0.47) TOP2AHSP90AB1MAPK14RPS6KB1
Hydrochloric Acid SCHEMBL6153321 0.76 IRAK4 (0.44) IRAK4MEN1CYP2D6KMT2AAURKA

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-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 EP 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 TOP2A 4307/4885HSP90AB1 1463/4885IRAK4 3240/4885

“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.