SCHEMBL6133659

SCHEMBL6133659

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.41
ADA P00813 5/20 0.39
LPAR1 Q92633 1/20 0.37
PTGER1 P34995 3/20 0.37
PTGER4 P35408 2/20 0.37
PTGER3 P43115 2/20 0.37
PTGER2 P43116 2/20 0.37
FFAR1 O14842 3/20 0.36
FFAR4 Q5NUL3 3/20 0.36
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MGLL Q99685 1/20 0.35
SLC1A5 Q15758 1/20 0.35
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
PPIA P62937 1/20 0.34
AKR1C3 P42330 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
SCHEMBL6134058 0.91 FFAR1 (0.37) ACLYPTGER1FFAR1FFAR4KDM4A
SCHEMBL6170939 0.91 ADA (0.45) ACLYADALPAR1PTGER1PTGER4
SCHEMBL6133722 0.90 ACLY (0.52) ACLYADALPAR1PTGER1KDM5A
SCHEMBL6133612 0.86 SLC1A5 (0.39) ADAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6133437 0.86 PTGER1 (0.42) ADAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6133394 0.85 MEN1 (0.31) ACLYFFAR1FFAR4KDM4AKDM5A
SCHEMBL6133845 0.85 ADA (0.41) ADALPAR1PTGER1PTGER4PTGER3
SCHEMBL1385210 0.85 ADA (0.36) ACLYADALPAR1PTGER1PTGER4
SCHEMBL6133407 0.84 PTGER1 (0.41) ADAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6134135 0.83 ADA (0.39) 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 ACLY 1604/4885ADA 1/4885LPAR1 3938/4885

“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.