SCHEMBL6134007

SCHEMBL6134007

NC(=O)c1cn(C[C@H](CCCOc2cccc3ccccc23)OCc2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADA P00813 4/20 0.41
MCL1 Q07820 7/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTR1B P28222 1/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
KCNA3 P22001 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6169584 0.87 ADA (0.52) ADAALDH1A1KMT2AMEN1
SCHEMBL5672394 0.86 ADA (0.39) ADAMRGPRX4ALDH1A1GAAMAPT
SCHEMBL6170057 0.86 ADA (0.51) ADAALDH1A1KMT2AMEN1
SCHEMBL6133929 0.84 ADA (0.52) ADAMRGPRX4ALDH1A1MAPTKMT2A
SCHEMBL6133390 0.84 ADA (0.46) ADAMCL1ALDH1A1MAPTHTR1B
SCHEMBL5671897 0.83 ADA (0.47) ADAKMT2AMEN1
SCHEMBL6169457 0.83 ADA (0.49) ADAKMT2A
SCHEMBL6173056 0.83 ADA (0.44) ADA
SCHEMBL6169467 0.83 ADA (0.48) ADAKMT2A
SCHEMBL6135524 0.81 ADA (0.39) ADA

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 3 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-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 1/4885MCL1 1137/4885MRGPRX4 2054/4885

“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.