SCHEMBL5671012

SCHEMBL5671012

NC(=O)c1cn(C[C@H](CCCOc2ccc3ncccc3c2)OCc2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADA P00813 6/20 0.44
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MCL1 Q07820 1/20 0.40
ALOX5 P09917 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 3/20 0.37
RAB9A P51151 3/20 0.37
TNF P01375 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
LMNA P02545 1/20 0.37
TBXAS1 P24557 1/20 0.36

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
SCHEMBL6133929 0.91 ADA (0.52) ADAPPARGPPARAALOX5KDM4E
SCHEMBL5672336 0.86 ADA (0.45) ADAPPARGPPARATBXAS1
SCHEMBL5672381 0.84 ADA (0.41) ADAPPARGPPARAKDM4EALDH1A1
SCHEMBL5671001 0.84 ADA (0.49) ADAPPARGPPARAMCL1ALOX5
SCHEMBL5671216 0.82 ADA (0.40) ADACYP3A4
SCHEMBL5672353 0.81 LMNA (0.42) ADAMAPTMAPK1LMNA
SCHEMBL6171229 0.81 ADA (0.42) ADATBXAS1
SCHEMBL6134007 0.80 ADA (0.41) ADAMCL1KDM4EALDH1A1MAPT
SCHEMBL6169457 0.80 ADA (0.49) ADALMNATBXAS1
SCHEMBL5671897 0.80 ADA (0.47) ADATBXAS1

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-7064144-B2 Imidazole derivatives as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2006-06-20 US claimed
US-20040236114-A1 Imidazole derivatives as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-11-25 US claimed
US-7064144-B2 Imidazole derivatives as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2006-06-20 US disclosed
US-20040236114-A1 Imidazole derivatives as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-11-25 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-20040236114-A1 Imidazole derivatives as adenosine deaminase inhibitors ADA, ADAR, IMPDH1 ADA 1/4885PPARG 2894/4885PPARA 3439/4885

“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.