SCHEMBL4584014

SCHEMBL4584014

CCCOc1ccc(-c2nc3c(C(CC[C@H](C)O[Si](C)(C)C(C)(C)C)n4cnc(C(N)=O)c4)cccc3o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADA P00813 13/20 0.48
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
PTPN1 P18031 3/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 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
SCHEMBL4584805 0.96 ADA (0.49) ADATP53MAPTKDM4EALDH1A1
SCHEMBL4584358 0.93 ADA (0.49) ADATP53MAPT
SCHEMBL4583749 0.91 ADA (0.49) ADA
SCHEMBL4582655 0.91 ADA (0.51) ADARAB9A
SCHEMBL4585451 0.91 ADA (0.59) ADAKDM4EALDH1A1HPGD
SCHEMBL4584348 0.89 ADA (0.54) ADATP53MAPTPTPN1KDM4E
Hydrochloric Acid SCHEMBL4583906 0.88 ADA (0.53) ADATP53MAPTPTPN1KDM4E
SCHEMBL4585444 0.87 ADA (0.49) ADAMAPT
SCHEMBL4584144 0.86 ADA (0.50) ADATP53MAPTRAB9A
SCHEMBL4583595 0.84 ADA (0.55) ADATP53MAPTPTPN1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317107-B2 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
US-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2005-07-21 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-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ADA, AMPD2, AMPD1 ADA 1/4885TP53 1572/4885MAPT 4738/4885

“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.