SCHEMBL4584348

SCHEMBL4584348

CCCOc1ccc(-c2nc3c(C(CC[C@H](C)O)n4cnc(C(N)=O)c4)cccc3o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADA P00813 10/20 0.54
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37
PTPN1 P18031 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RY14 Q15391 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
Hydrochloric Acid SCHEMBL4583906 0.99 ADA (0.53) ADATP53MAPTCHRNB4CHRNA3
SCHEMBL4583595 0.95 ADA (0.55) ADATP53MAPTCHRNB4CHRNA3
Hydrochloric Acid SCHEMBL4585538 0.94 ADA (0.54) ADATP53MAPTCHRNB4CHRNA3
SCHEMBL4583380 0.92 ADA (0.55) ADATP53MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4583542 0.91 ADA (0.54) ADATP53MAPTKDM4EALDH1A1
SCHEMBL4583695 0.89 ADA (0.57) ADAKDM4EALDH1A1RAB9A
SCHEMBL4584014 0.89 ADA (0.48) ADATP53MAPTPTPN1KDM4E
SCHEMBL4582826 0.89 ADA (0.59) ADA
Hydrochloric Acid SCHEMBL4582966 0.88 ADA (0.56) ADAKDM4EALDH1A1RAB9A
Hydrochloric Acid SCHEMBL4583285 0.88 ADA (0.67) ADAKDM4EALDH1A1HPGDRAB9A

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 1/4885TP53 1572/4885MAPT 4738/4885

“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.