SCHEMBL6133722

SCHEMBL6133722

NC(=O)c1cn(C[C@@H](O)CCCc2ccc(Cl)cc2OCc2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.52
PTGER1 P34995 13/20 0.45
KDM5A P29375 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
HMGCR P04035 1/20 0.39
ADA P00813 2/20 0.39
LPAR1 Q92633 1/20 0.37

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
SCHEMBL6133659 0.90 ACLY (0.41) ACLYPTGER1KDM5AKDM2BKDM4C
SCHEMBL6170939 0.89 ADA (0.45) ACLYPTGER1ADALPAR1
Hydrochloric Acid SCHEMBL6134584 0.89 SLC1A5 (0.42) ACLYPTGER1ADA
SCHEMBL6133619 0.85 ACLY (0.45) ACLYPTGER1KDM5AKDM2BKDM4C
SCHEMBL6133373 0.84 ACLY (0.36) ACLYPTGER1ADA
SCHEMBL6133437 0.84 PTGER1 (0.42) PTGER1ADA
SCHEMBL6134089 0.83 CARM1 (0.39) ACLYPTGER1ADALPAR1
SCHEMBL6133845 0.83 ADA (0.41) PTGER1ADALPAR1
SCHEMBL6133407 0.82 PTGER1 (0.41) PTGER1ADA
SCHEMBL6134115 0.82 PTGER1 (0.39) ACLYPTGER1ADALPAR1

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 1604/4885PTGER1 1527/4885KDM5A 1008/4885

“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.