SCHEMBL4584885

SCHEMBL4584885

C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CCc1cccc2oc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADA P00813 2/20 0.51
BCHE P06276 1/20 0.37
HTR3A P46098 1/20 0.36
CASP3 P42574 2/20 0.34
SENP7 Q9BQF6 1/20 0.34
UTRN P46939 1/20 0.34
MAOA P21397 1/20 0.33
ADRA1A P35348 1/20 0.33
CEPT1 Q9Y6K0 1/20 0.32
ADK P55263 1/20 0.32
CETP P11597 2/20 0.31
TARBP2 Q15633 1/20 0.31
TOP2A P11388 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
XBP1 P17861 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL4583166 0.85 ADA (0.51) ADABCHEHTR3AMAOAADRA1A
SCHEMBL4584109 0.84 ADA (0.46) ADABCHEHTR3ACASP3SENP7
SCHEMBL6831619 0.81 ADA (0.42) ADABCHEHTR3ACASP3SENP7
SCHEMBL4585448 0.79 ADA (0.78) ADAHTR3ACASP3SENP7MAOA
SCHEMBL6830817 0.77 ADA (0.41) ADABCHEHTR3ACASP3SENP7
SCHEMBL4584335 0.77 ADA (0.37) ADABCHEHTR3ACASP3SENP7
SCHEMBL4584332 0.77 ADA (0.37) ADABCHEHTR3ACASP3SENP7
SCHEMBL6831266 0.75 ADA (0.42) ADABCHEHTR3ACASP3SENP7
SCHEMBL4584082 0.71 ADA (0.47) ADABCHEHTR3ACASP3SENP7
SCHEMBL4584138 0.71 ADA (0.67) 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 4 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
EP-1474421-A1 IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP disclosed
WO-2003068768-A1 IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO 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 1/4885BCHE 877/4885HTR3A 747/4885

“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.