SCHEMBL6133390

SCHEMBL6133390

NC(=O)c1cn(C[C@@H](O)CCCOc2cccc3ccccc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADA P00813 3/20 0.46
HTR1B P28222 2/20 0.42
MCL1 Q07820 7/20 0.42
NR2E1 Q9Y466 1/20 0.42
AGER Q15109 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
PRNP P04156 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6134007 0.84 ADA (0.41) ADAHTR1BMCL1KMT2AMEN1
SCHEMBL5671046 0.83 ALDH1A1 (0.43) ADAKMT2AMEN1KDM4ELMNA
SCHEMBL5671903 0.82 ADA (0.43) ADAKMT2AMEN1LMNAPRNP
SCHEMBL6133548 0.82 ADA (0.61) ADAHPGD
SCHEMBL5671039 0.82 ADA (0.46) ADALMNAPRNPMAPTRXFP1
SCHEMBL5671238 0.79 LTB4R (0.39) ADALMNAPRNPMAPTRXFP1
SCHEMBL5671235 0.79 ADA (0.45) ADA
SCHEMBL5671358 0.78 ADA (0.42) ADAMCL1KMT2AMEN1KDM4E
SCHEMBL6172343 0.78 ADA (0.47) ADALMNA
Hydrochloric Acid SCHEMBL6133251 0.77 ADA (0.37) ADAKMT2AMEN1LMNAMAPT

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 1/4885HTR1B 1170/4885MCL1 1137/4885

“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.