SCHEMBL6133372

SCHEMBL6133372

C[C@H](O)[C@@H](CCc1ccc(Cl)cc1OCc1ccc(Br)s1)n1cnc(C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADA P00813 7/20 0.54
PTGER1 P34995 1/20 0.35
PLK1 P53350 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34

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 SCHEMBL6133661 0.88 ADA (0.58) ADA
SCHEMBL6133717 0.84 ADA (0.60) ADAPTGER1
SCHEMBL6133373 0.81 ACLY (0.36) ADAPTGER1PLK1MRGPRX4
SCHEMBL6133842 0.79 ADA (0.67) ADA
Hydrochloric Acid SCHEMBL6134582 0.76 ADA (0.64) ADAPTGER1
SCHEMBL1385959 0.76 ADA (0.51) ADAPTGER1
Hydrochloric Acid SCHEMBL6134052 0.75 ADA (0.57) ADA
SCHEMBL6133236 0.75 ADA (0.79) ADA
SCHEMBL6133618 0.74 ADA (0.46) ADAPTGER1
SCHEMBL6133658 0.74 ADA (0.58) ADAPTGER1

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-6908940-B2 Imidazole compounds and their use as adenosine deaminase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-21 US claimed
US-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-05-20 US claimed
US-6908940-B2 Imidazole compounds and their use as adenosine deaminase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-21 US disclosed
US-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-05-20 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-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ADA, AMPD2, AMPD1 ADA 1/4885PTGER1 1527/4885PLK1 4417/4885

“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.