SCHEMBL4584128

SCHEMBL4584128

C[C@@H](CCC(c1cccc2sc(-c3ccccc3)nc12)n1cnc(C(N)=O)c1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADA P00813 16/20 0.39
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
STAT1 P42224 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
Hydrochloric Acid SCHEMBL4584440 0.85 ADA (0.44) ADANPC1HPGDNFKB1STAT1
SCHEMBL4583749 0.84 ADA (0.49) ADA
SCHEMBL4584124 0.81 ADA (0.49) ADA
SCHEMBL4584144 0.78 ADA (0.50) ADANPC1RAB9A
SCHEMBL4584396 0.78 ADA (0.40) ADA
SCHEMBL4582655 0.77 ADA (0.51) ADANPC1RAB9A
SCHEMBL4585451 0.77 ADA (0.59) ADAHPGD
SCHEMBL4584805 0.77 ADA (0.49) ADAHPGD
SCHEMBL4584358 0.77 ADA (0.49) ADA
SCHEMBL4584014 0.76 ADA (0.48) ADAHPGDRAB9A

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 1/4885NPC1 1630/4885HPGD 288/4885

“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.