SCHEMBL4585451

SCHEMBL4585451

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADA P00813 11/20 0.59
HTR3A P46098 1/20 0.36
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADRB2 P07550 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CEPT1 Q9Y6K0 1/20 0.31
IKBKB O14920 1/20 0.31
MAOA P21397 1/20 0.30
ADRA1A P35348 1/20 0.30
TOP2A P11388 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
SCHEMBL4584144 0.93 ADA (0.50) ADAIKBKB
SCHEMBL4582655 0.93 ADA (0.51) ADAHTR3ACEPT1TOP2A
SCHEMBL4585444 0.92 ADA (0.49) ADA
SCHEMBL4584805 0.92 ADA (0.49) ADAHTR3AKDM4EALDH1A1HPGD
SCHEMBL4584358 0.92 ADA (0.49) ADAHTR3AIKBKB
SCHEMBL4584014 0.91 ADA (0.48) ADAKDM4EALDH1A1HPGD
SCHEMBL4584977 0.88 ADA (0.59) ADAHTR3ACEPT1
Hydrochloric Acid SCHEMBL4583285 0.87 ADA (0.67) ADAHTR3AKDM4EMEN1ALDH1A1
SCHEMBL4585784 0.84 ADA (0.49) ADAKDM4EMEN1ALDH1A1KMT2A

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 747/4885KDM4E 1126/4885

“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.