SCHEMBL4584805

SCHEMBL4584805

CCOc1ccc(-c2nc3c(C(CC[C@H](C)O[Si](C)(C)C(C)(C)C)n4cnc(C(N)=O)c4)cccc3o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADA P00813 12/20 0.49
MAPT P10636 4/20 0.32
POLB P06746 2/20 0.32
THRB P10828 1/20 0.32
TP53 P04637 1/20 0.32
SRC P12931 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HTR3A P46098 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
AHR P35869 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4584014 0.96 ADA (0.48) ADAMAPTTP53KDM4EALDH1A1
SCHEMBL4584358 0.94 ADA (0.49) ADAMAPTTP53HTR3A
SCHEMBL4583749 0.93 ADA (0.49) ADAHTR3A
SCHEMBL4585451 0.92 ADA (0.59) ADAHTR3AKDM4EALDH1A1HPGD
SCHEMBL4582655 0.92 ADA (0.51) ADAHTR3A
SCHEMBL4583595 0.89 ADA (0.55) ADAMAPTPOLBTHRBTP53
SCHEMBL4585444 0.88 ADA (0.49) ADAMAPT
Hydrochloric Acid SCHEMBL4585538 0.88 ADA (0.54) ADAMAPTPOLBTHRBTP53
SCHEMBL4584144 0.88 ADA (0.50) ADAMAPTTHRBTP53
SCHEMBL4584348 0.84 ADA (0.54) ADAMAPTTP53KDM4EALDH1A1

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 1/4885MAPT 4738/4885POLB 917/4885

“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.