SCHEMBL4583595

SCHEMBL4583595

CCOc1ccc(-c2nc3c(C(CC[C@H](C)O)n4cnc(C(N)=O)c4)cccc3o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADA P00813 8/20 0.55
MAPT P10636 5/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 2/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
AHR P35869 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTPN1 P18031 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 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 SCHEMBL4585538 0.99 ADA (0.54) ADAMAPTPOLBTP53THRB
SCHEMBL4584348 0.95 ADA (0.54) ADAMAPTTP53ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4583906 0.94 ADA (0.53) ADAMAPTTP53ALDH1A1KDM4E
SCHEMBL4583380 0.93 ADA (0.55) ADAMAPTPOLBTP53ALDH1A1
Hydrochloric Acid SCHEMBL4583542 0.93 ADA (0.54) ADAMAPTPOLBTP53ALDH1A1
SCHEMBL4583695 0.91 ADA (0.57) ADAPOLBALDH1A1KDM4ENPC1
SCHEMBL4582826 0.90 ADA (0.59) ADA
Hydrochloric Acid SCHEMBL4582966 0.90 ADA (0.56) ADAPOLBALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL4583285 0.89 ADA (0.67) ADAALDH1A1KDM4EHPGDNPC1
SCHEMBL4584805 0.89 ADA (0.49) ADAMAPTPOLBTP53THRB

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 1/4885MAPT 4738/4885POLB 917/4885

“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.