SCHEMBL4582655

SCHEMBL4582655

C[C@@H](CCC(c1cccc2oc(-c3ccc(F)cc3)nc12)n1cnc(C(N)=O)c1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADA P00813 9/20 0.51
HTR3A P46098 1/20 0.36
UTRN P46939 1/20 0.36
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CEPT1 Q9Y6K0 1/20 0.32
TGFBR1 P36897 2/20 0.31
TOP2A P11388 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4583749 0.93 ADA (0.49) ADAHTR3ACEPT1TOP2A
SCHEMBL4585451 0.93 ADA (0.59) ADAHTR3ACEPT1TOP2A
SCHEMBL4584358 0.92 ADA (0.49) ADAHTR3A
SCHEMBL4584805 0.92 ADA (0.49) ADAHTR3A
SCHEMBL4584014 0.91 ADA (0.48) ADARAB9A
SCHEMBL4585444 0.89 ADA (0.49) ADA
SCHEMBL4584144 0.88 ADA (0.50) ADANPC1RAB9A
SCHEMBL4582826 0.88 ADA (0.59) ADAHTR3AUTRNPSEN1PSEN2
SCHEMBL4582650 0.82 ADA (0.67) ADAHTR3AUTRNPSEN1PSEN2
SCHEMBL4584056 0.81 ADA (0.50) ADACEPT1NPC1RAB9A

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 1/4885HTR3A 747/4885UTRN 4015/4885

“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.