SCHEMBL6133502

SCHEMBL6133502

NC(=O)c1cn(C[C@@H](O)CCCc2ccccc2OCCCc2ccc(Cl)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADA P00813 12/20 0.43
LPAR1 Q92633 1/20 0.36
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
SLC1A5 Q15758 1/20 0.35
PPARD Q03181 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
SCHEMBL6172343 0.93 ADA (0.47) ADALPAR1PTGER1PTGER4PTGER3
Hydrochloric Acid SCHEMBL6134584 0.91 SLC1A5 (0.42) ADAPTGER1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL6133494 0.90 ADA (0.39) ADAPPARD
SCHEMBL6134545 0.89 MMP3 (0.36) ADAPPARD
SCHEMBL6133607 0.89 HTT (0.37) ADAPPARD
SCHEMBL6133737 0.88 ADA (0.42) ADALPAR1PTGER1PTGER4PTGER3
Hydrochloric Acid SCHEMBL6133251 0.84 ADA (0.37) ADALPAR1
SCHEMBL6170903 0.84 MEN1 (0.45) ADA
SCHEMBL6134089 0.84 CARM1 (0.39) ADALPAR1PTGER1PTGER4PTGER3
SCHEMBL6170939 0.84 ADA (0.45) ADALPAR1PTGER1PTGER4PTGER3

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 1/4885LPAR1 3938/4885PTGER1 1527/4885

“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.