SCHEMBL6134058

SCHEMBL6134058

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.37
FFAR4 Q5NUL3 3/20 0.37
PTGER1 P34995 4/20 0.36
MAPK14 Q16539 2/20 0.35
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
GRM2 Q14416 2/20 0.34
ACLY P53396 1/20 0.33
CCR5 P51681 1/20 0.33
SMPD1 P17405 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 0.91 ACLY (0.41) FFAR1FFAR4PTGER1KDM4AKDM5A
Hydrochloric Acid SCHEMBL6134427 0.89 PTGER1 (0.39) PTGER1LMNASMN1; SMN2
SCHEMBL6133394 0.84 MEN1 (0.31) FFAR1FFAR4KDM4AKDM5AKDM2B
Hydrochloric Acid SCHEMBL6134035 0.83 MTNR1B (0.39) PTGER1MAPK14CCR5MEN1LMNA
SCHEMBL6133612 0.83 SLC1A5 (0.39) PTGER1
Hydrochloric Acid SCHEMBL6133359 0.83 ADA (0.37) PTGER1ACLY
SCHEMBL6170939 0.82 ADA (0.45) PTGER1ACLY
SCHEMBL6133234 0.82 ADA (0.34) GRM2
Hydrochloric Acid SCHEMBL6134353 0.81 PARP1 (0.39) PTGER1
SCHEMBL6133722 0.81 ACLY (0.52) PTGER1KDM5AKDM2BKDM4CKDM5B

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 FFAR1 1772/4885FFAR4 3599/4885PTGER1 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.