SCHEMBL4583436

SCHEMBL4583436

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

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADA P00813 9/20 0.68
HTR3A P46098 1/20 0.38
IKBKB O14920 1/20 0.34
DHODH Q02127 1/20 0.34
MAOA P21397 1/20 0.34
ADRA1A P35348 1/20 0.34
CEPT1 Q9Y6K0 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
BCHE P06276 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
SCHEMBL4582914 0.92 ADA (0.57) ADAIKBKBDHODHCEPT1MTNR1A
SCHEMBL4585499 0.90 ADA (0.55) ADAHTR3AIKBKB
Hydrochloric Acid SCHEMBL4582809 0.89 ADA (0.54) ADAHTR3AIKBKB
SCHEMBL4584977 0.88 ADA (0.59) ADAHTR3ADHODHCEPT1
Hydrochloric Acid SCHEMBL4583285 0.86 ADA (0.67) ADAHTR3AIKBKBMAOAADRA1A
SCHEMBL4584306 0.84 ADA (0.50) ADA
Hydrochloric Acid SCHEMBL4583751 0.83 ADA (0.49) ADA
SCHEMBL4584029 0.82 ADA (0.46) ADA
Hydrochloric Acid SCHEMBL4582960 0.81 ADA (0.46) ADA
SCHEMBL4584630 0.81 ADA (0.46) ADAIKBKB

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 6 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 claimed
US-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2005-07-21 US claimed
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 747/4885IKBKB 564/4885

“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.