SCHEMBL4504070

SCHEMBL4504070

CN1CCCC1CCNS(=O)(=O)N1CC[CH]CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.36
RAD52 P43351 2/20 0.36
ACKR3 P25106 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
UHRF1 Q96T88 1/20 0.35
GFER P55789 1/20 0.35
MITF O75030 1/20 0.35
SLC2A1 P11166 1/20 0.34
METAP2 P50579 1/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL15432285 0.77 ALDH1A1 (0.49) ALDH1A1CYP1A2RAD52ACKR3NPC1
SCHEMBL4200851 0.71 SIGMAR1 (0.45) ALDH1A1
SCHEMBL6349985 0.70 L3MBTL1 (0.56) ALDH1A1ACKR3
SCHEMBL19563406 0.69 SIGMAR1 (0.58) ALDH1A1HRH3
SCHEMBL6347090 0.69 APP (0.50) ALDH1A1HRH2HRH1HRH3
SCHEMBL4199008 0.69 L3MBTL1 (0.48)
SCHEMBL4195788 0.69 HDAC2 (0.36) ALDH1A1
SCHEMBL6338841 0.69 L3MBTL1 (0.47) HRH2HRH1HRH3
SCHEMBL12509424 0.69 KCNH2 (0.49) ALDH1A1HRH3
SCHEMBL4195729 0.68 ALDH1A1 (0.44) ALDH1A1

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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 ALDH1A1 537/4885CYP1A2 1852/4885RAD52 318/4885

“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.