SCHEMBL4584299

SCHEMBL4584299

C[C@H](O)[C@@H](CCc1cccc2nc(-c3cccs3)oc12)n1cnc(C(N)=O)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADA P00813 8/20 0.74
PDE4C Q08493 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
F2 P00734 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
Hydrochloric Acid SCHEMBL4583311 0.99 ADA (0.73) ADAPDE4CMTNR1AMTNR1BMEN1
SCHEMBL4584033 0.89 ADA (0.70) ADAMTNR1AMTNR1B
SCHEMBL4585290 0.88 ADA (0.59) ADAPDE4CMTNR1AMTNR1BMEN1
SCHEMBL4584617 0.86 ADA (0.69) ADAMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL4582952 0.86 ADA (0.68) ADAMTNR1AMTNR1B
SCHEMBL4582912 0.86 ADA (0.86) ADAMTNR1AMTNR1B
SCHEMBL4583432 0.85 ADA (1.00) ADAMTNR1AMTNR1B
SCHEMBL21067823 0.85 ADA (1.00) ADAMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL4582957 0.85 ADA (0.69) ADAMTNR1AMTNR1B
SCHEMBL4585493 0.84 ADA (0.82) ADAMTNR1AMTNR1BALDH1A1SMN1; SMN2

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 1/4885PDE4C 171/4885MTNR1A 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.