SCHEMBL6133373

SCHEMBL6133373

NC(=O)c1cn(C[C@@H](O)CCCc2ccc(Cl)cc2OCc2ccc(Br)s2)cn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.36
PLK1 P53350 3/20 0.33
MRGPRX4 Q96LA9 2/20 0.32
PTGER1 P34995 2/20 0.32
ADA P00813 5/20 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
Hydrochloric Acid SCHEMBL6133662 0.88 ADA (0.34) PLK1PTGER1ADA
SCHEMBL6133722 0.84 ACLY (0.52) ACLYPTGER1ADA
SCHEMBL6133372 0.81 ADA (0.54) PLK1MRGPRX4PTGER1ADA
SCHEMBL6133844 0.79 ADA (0.38) ACLYADA
Hydrochloric Acid SCHEMBL6134584 0.76 SLC1A5 (0.42) ACLYPLK1PTGER1ADA
SCHEMBL6134058 0.76 FFAR1 (0.37) ACLYPTGER1
SCHEMBL6133239 0.75 ADA (0.47) ADA
Hydrochloric Acid SCHEMBL6134055 0.75 ADA (0.35) PLK1ADA
Hydrochloric Acid SCHEMBL6133359 0.74 ADA (0.37) ACLYPTGER1ADA
SCHEMBL6133659 0.74 ACLY (0.41) ACLYPTGER1ADA

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 ACLY 1604/4885PLK1 4417/4885MRGPRX4 2054/4885

“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.