SCHEMBL6133394

SCHEMBL6133394

NC(=O)c1cn(C[C@@H](O)CCCc2ccc(F)cc2OCc2ccc(Sc3cccs3)cc2)cn1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
ACLY P53396 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
KDM4A O75164 1/20 0.30
KDM5A P29375 1/20 0.30
KDM2B Q8NHM5 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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 SCHEMBL6133990 0.91 PTGER1 (0.34)
SCHEMBL6133659 0.85 ACLY (0.41) ACLYFFAR1FFAR4KDM4AKDM5A
SCHEMBL6134058 0.84 FFAR1 (0.37) MEN1KMT2AACLYFFAR1FFAR4
SCHEMBL6133392 0.83 ADA (0.46) MEN1ALDH1A1KMT2ATRPM8FFAR1
Hydrochloric Acid SCHEMBL6133168 0.81 PTGER1 (0.40) ACLY
Hydrochloric Acid SCHEMBL6133382 0.80 PTGER1 (0.33) ACLY
SCHEMBL6134148 0.79 ADA (0.36) FFAR1
Hydrochloric Acid SCHEMBL6133478 0.78 PTGER1 (0.38) FFAR1FFAR4
SCHEMBL6133612 0.78 SLC1A5 (0.39)
SCHEMBL6170939 0.77 ADA (0.45) ACLY

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 MEN1 3124/4885ALDH1A1 40/4885KMT2A 1022/4885

“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.