SCHEMBL4584393

SCHEMBL4584393

C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCc1cccc2nc(-c3cc4ccccc4s3)oc12)n1cnc(C(N)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADA P00813 13/20 0.55
IKBKB O14920 1/20 0.36
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL4585290 0.89 ADA (0.59) ADAMTNR1AMTNR1BPPARGPPARA
SCHEMBL4584617 0.89 ADA (0.69) ADAIKBKBMTNR1AMTNR1BPPARG
Hydrochloric Acid SCHEMBL4582952 0.88 ADA (0.68) ADAIKBKBMTNR1AMTNR1BPPARG
SCHEMBL4584391 0.87 ADA (0.55) ADAMTNR1AMTNR1B
SCHEMBL4584054 0.84 ADA (0.67) ADAMTNR1AMTNR1B
SCHEMBL4584972 0.84 ADA (0.78) ADAMTNR1AMTNR1B
SCHEMBL4584642 0.83 ADA (0.65) ADAIKBKBMTNR1AMTNR1B
SCHEMBL4584396 0.83 ADA (0.40) ADAIKBKBPPARGPPARA
SCHEMBL4584385 0.82 ADA (0.65) ADAMTNR1AMTNR1B
SCHEMBL4584124 0.78 ADA (0.49) ADA

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-7317107-B2 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
US-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2005-07-21 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-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ADA, AMPD2, AMPD1 ADA 1/4885IKBKB 564/4885MTNR1A 1437/4885

“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.