SCHEMBL6133737

SCHEMBL6133737

NC(=O)c1cn(C[C@@H](O)CCCc2ccccc2OCCc2ccc(-c3ccccc3)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADA P00813 9/20 0.42
MMP12 P39900 3/20 0.37
MMP13 P45452 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
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
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL6133437 0.92 PTGER1 (0.42) ADAMMP12MMP13MMP2MMP9
SCHEMBL6172343 0.91 ADA (0.47) ADALPAR1PTGER1PTGER4PTGER3
Hydrochloric Acid SCHEMBL6134471 0.90 ADA (0.38) ADAPPARG
SCHEMBL6133502 0.88 ADA (0.43) ADALPAR1PTGER1PTGER4PTGER3
SCHEMBL6170939 0.86 ADA (0.45) ADALPAR1PTGER1PTGER4PTGER3
Hydrochloric Acid SCHEMBL6133251 0.84 ADA (0.37) ADALPAR1
SCHEMBL6170903 0.84 MEN1 (0.45) ADAPPARG
SCHEMBL6133407 0.83 PTGER1 (0.41) ADAMMP12MMP13PTGER1PTGER4
SCHEMBL6172025 0.83 LPAR1 (0.42) ADALPAR1
Hydrochloric Acid SCHEMBL6133445 0.83 HRH1 (0.40) ADA

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 1/4885MMP12 1320/4885MMP13 1947/4885

“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.