SCHEMBL4585651

SCHEMBL4585651

C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C=Cc1cccc2nc(-c3ccc(Cl)cc3)oc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.37
HTR3A P46098 1/20 0.36
BCHE P06276 1/20 0.35
ESR2 Q92731 5/20 0.33
ESR1 P03372 3/20 0.33
DHODH Q02127 1/20 0.33
MAOA P21397 1/20 0.33
ADRA1A P35348 1/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 1/20 0.33
PKM P14618 1/20 0.32
ATM Q13315 1/20 0.32
CEPT1 Q9Y6K0 1/20 0.32
TARBP2 Q15633 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 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
SCHEMBL4585646 1.00 ADA (0.37) ADAHTR3ABCHEESR2ESR1
SCHEMBL4584335 0.85 ADA (0.37) ADAHTR3ABCHEMAOAADRA1A
SCHEMBL4584332 0.85 ADA (0.37) ADAHTR3ABCHEMAOAADRA1A
SCHEMBL4582949 0.82 HTR3A (0.39) ADAHTR3ABCHEESR2ESR1
SCHEMBL4582942 0.82 HTR3A (0.39) ADAHTR3ABCHEESR2ESR1
SCHEMBL4582944 0.82 HTR3A (0.39) ADAHTR3ABCHEESR2ESR1
SCHEMBL4583166 0.77 ADA (0.51) ADAHTR3ABCHEESR2ESR1
SCHEMBL6830883 0.72 ADA (0.42) ADAHTR3ABCHEESR2ESR1
SCHEMBL6831661 0.70 ADA (0.42) ADAHTR3ABCHEESR2ESR1
SCHEMBL4583221 0.69 ADA (0.46) ADAHTR3ABCHEDHODHMAOA

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 1/4885HTR3A 747/4885BCHE 877/4885

“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.