SCHEMBL4583376

SCHEMBL4583376

COc1ccc(-c2nc3c(CC[C@H]([C@H](C)O)n4cnc(C(N)=O)c4)cccc3o2)cc1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADA P00813 10/20 0.82
HTR3A P46098 1/20 0.39
IKBKB O14920 1/20 0.37
MAPT P10636 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 1/20 0.36
APP P05067 1/20 0.35

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 SCHEMBL4583534 0.99 ADA (0.81) ADAHTR3AIKBKBMAPTRXFP1
SCHEMBL4583586 0.93 ADA (0.81) ADAMAPT
SCHEMBL4584344 0.92 ADA (0.80) ADAMAPTTP53
Hydrochloric Acid SCHEMBL4585536 0.92 ADA (0.80) ADAMAPT
Hydrochloric Acid SCHEMBL4583903 0.91 ADA (0.79) ADAMAPTTP53
SCHEMBL4582821 0.91 ADA (0.86) ADAHTR3A
SCHEMBL4583690 0.91 ADA (0.86) ADA
Hydrochloric Acid SCHEMBL4582964 0.90 ADA (0.84) ADA
Hydrochloric Acid SCHEMBL4583283 0.89 ADA (0.98) ADAHTR3A
SCHEMBL4584354 0.89 ADA (0.65) ADAHTR3AIKBKBMAPTRXFP1

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 747/4885IKBKB 564/4885

“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.