SCHEMBL4584977

SCHEMBL4584977

C[C@@H](CCC(c1cccc2nc(-c3ccc(Cl)cc3)oc12)n1cnc(C(N)=O)c1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADA P00813 11/20 0.59
HTR3A P46098 1/20 0.36
CEPT1 Q9Y6K0 2/20 0.33
DHODH Q02127 1/20 0.32
CETP P11597 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
SCHEMBL4584056 0.93 ADA (0.50) ADACEPT1DHODHCETP
SCHEMBL4584649 0.92 ADA (0.49) ADAHTR3ACEPT1
SCHEMBL4585451 0.88 ADA (0.59) ADAHTR3ACEPT1
SCHEMBL4583436 0.88 ADA (0.68) ADAHTR3ACEPT1DHODH
SCHEMBL4585295 0.87 ADA (0.44) ADA
SCHEMBL4584389 0.84 ADA (0.41) ADA
SCHEMBL4585784 0.84 ADA (0.49) ADACETP
SCHEMBL4584396 0.83 ADA (0.40) ADA
SCHEMBL4584972 0.81 ADA (0.78) ADAHTR3ACEPT1
SCHEMBL4583749 0.81 ADA (0.49) ADAHTR3ACEPT1

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 1/4885HTR3A 747/4885CEPT1 797/4885

“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.