SCHEMBL4582826

SCHEMBL4582826

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADA P00813 9/20 0.59
UTRN P46939 1/20 0.38
HTR3A P46098 1/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TGFBR1 P36897 4/20 0.35
TGFBR2 P37173 1/20 0.35
CEPT1 Q9Y6K0 1/20 0.34

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
SCHEMBL4583695 0.92 ADA (0.57) ADAHTR3ACEPT1
Hydrochloric Acid SCHEMBL4582966 0.91 ADA (0.56) ADAHTR3ACEPT1
Hydrochloric Acid SCHEMBL4583285 0.91 ADA (0.67) ADAHTR3A
SCHEMBL4583380 0.90 ADA (0.55) ADAHTR3A
SCHEMBL4583595 0.90 ADA (0.55) ADA
Hydrochloric Acid SCHEMBL4585538 0.89 ADA (0.54) ADA
Hydrochloric Acid SCHEMBL4583542 0.89 ADA (0.54) ADAHTR3A
SCHEMBL4584348 0.89 ADA (0.54) ADA
Hydrochloric Acid SCHEMBL4583906 0.88 ADA (0.53) ADA
SCHEMBL4584371 0.88 ADA (0.56) ADA

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 1/4885UTRN 4015/4885HTR3A 747/4885

“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.