SCHEMBL4583166

SCHEMBL4583166

C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CCc1cccc2nc(-c3ccc(Cl)cc3)oc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADA P00813 2/20 0.51
MTNR1A P48039 7/20 0.43
MTNR1B P49286 7/20 0.43
BCHE P06276 1/20 0.37
HTR3A P46098 1/20 0.36
MAOB P27338 2/20 0.34
PKM P14618 1/20 0.34
ESR2 Q92731 2/20 0.33
ESR1 P03372 1/20 0.33
DHODH Q02127 1/20 0.33
CEPT1 Q9Y6K0 1/20 0.33
MAOA P21397 1/20 0.33
ADRA1A P35348 1/20 0.33
MAPT P10636 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
SCHEMBL4584885 0.85 ADA (0.51) ADABCHEHTR3ACEPT1MAOA
SCHEMBL4583221 0.84 ADA (0.46) ADAMTNR1AMTNR1BBCHEHTR3A
SCHEMBL6830883 0.82 ADA (0.42) ADAMTNR1AMTNR1BBCHEHTR3A
SCHEMBL4584972 0.79 ADA (0.78) ADAMTNR1AMTNR1BHTR3ACEPT1
SCHEMBL4585651 0.77 ADA (0.37) ADAMTNR1AMTNR1BBCHEHTR3A
SCHEMBL4585646 0.77 ADA (0.37) ADAMTNR1AMTNR1BBCHEHTR3A
SCHEMBL6831661 0.76 ADA (0.42) ADAMTNR1AMTNR1BBCHEHTR3A
SCHEMBL4584054 0.71 ADA (0.67) ADAMTNR1AMTNR1BCEPT1
SCHEMBL4582942 0.70 HTR3A (0.39) ADAMTNR1AMTNR1BBCHEHTR3A
SCHEMBL4582944 0.70 HTR3A (0.39) ADAMTNR1AMTNR1BBCHEHTR3A

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 1/4885MTNR1A 1437/4885MTNR1B 2249/4885

“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.