SCHEMBL4585448

SCHEMBL4585448

C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCc1cccc2oc(-c3ccc(Cl)cc3)nc12)n1cnc(C(N)=O)c1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADA P00813 11/20 0.78
HTR3A P46098 1/20 0.34
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
MAOA P21397 1/20 0.32
ADRA1A P35348 1/20 0.32
CETP P11597 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL4582650 0.93 ADA (0.67) ADAHTR3ANPC1RAB9A
SCHEMBL4583746 0.93 ADA (0.67) ADAHTR3A
SCHEMBL4584138 0.93 ADA (0.67) ADA
SCHEMBL4585439 0.92 ADA (0.66) ADA
SCHEMBL4584354 0.92 ADA (0.65) ADAHTR3A
SCHEMBL4584798 0.91 ADA (0.65) ADA
SCHEMBL4584009 0.91 ADA (0.64) ADA
SCHEMBL4584972 0.88 ADA (0.78) ADAHTR3A
Hydrochloric Acid SCHEMBL4583283 0.87 ADA (0.98) ADAHTR3ACASP3SENP7MAOA
SCHEMBL4585781 0.86 ADA (0.57) ADACASP3SENP7MAOAADRA1A

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 747/4885CASP3 1066/4885

“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.