SCHEMBL4582942

SCHEMBL4582942

C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)/C=C\c1cccc2nc(-c3ccc(Cl)cc3)oc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.39
ADA P00813 1/20 0.38
DHODH Q02127 1/20 0.37
MAOA P21397 1/20 0.37
ADRA1A P35348 1/20 0.37
MAPT P10636 1/20 0.36
TARBP2 Q15633 1/20 0.35
CEPT1 Q9Y6K0 2/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CASP3 P42574 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
CETP P11597 2/20 0.33
ESR2 Q92731 2/20 0.33
ESR1 P03372 1/20 0.33
TP53 P04637 1/20 0.33
BCHE P06276 1/20 0.32

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
SCHEMBL4582944 1.00 HTR3A (0.39) HTR3AADADHODHMAOAADRA1A
SCHEMBL4582949 1.00 HTR3A (0.39) HTR3AADADHODHMAOAADRA1A
SCHEMBL4583760 0.85 HTR3A (0.39) HTR3AADAMAOAADRA1ATARBP2
SCHEMBL4583762 0.85 HTR3A (0.39) HTR3AADAMAOAADRA1ATARBP2
SCHEMBL4583767 0.85 HTR3A (0.39) HTR3AADAMAOAADRA1ATARBP2
SCHEMBL4585651 0.82 ADA (0.37) HTR3AADADHODHMAOAADRA1A
SCHEMBL4585646 0.82 ADA (0.37) HTR3AADADHODHMAOAADRA1A
SCHEMBL6831661 0.75 ADA (0.42) HTR3AADADHODHMAOAADRA1A
SCHEMBL6830883 0.71 ADA (0.42) HTR3AADADHODHMAOAADRA1A
SCHEMBL4583990 0.71 ESR1 (0.51) HTR3AADADHODHCASP3ALDH1A1

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 HTR3A 747/4885ADA 1/4885DHODH 255/4885

“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.