SCHEMBL4583380

SCHEMBL4583380

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 8/20 0.55
HTR3A P46098 1/20 0.39
IKBKB O14920 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
CREBBP Q92793 1/20 0.35
APP P05067 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 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 SCHEMBL4583542 0.99 ADA (0.54) ADAHTR3AIKBKBMAPTTP53
SCHEMBL4583595 0.93 ADA (0.55) ADAMAPTTP53KDM4ENPC1
Hydrochloric Acid SCHEMBL4585538 0.93 ADA (0.54) ADAMAPTTP53KDM4ENPC1
SCHEMBL4584348 0.92 ADA (0.54) ADAMAPTTP53KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4583906 0.91 ADA (0.53) ADAMAPTTP53KDM4EALDH1A1
SCHEMBL4583695 0.91 ADA (0.57) ADAHTR3AKDM4ENPC1ALDH1A1
SCHEMBL4582826 0.90 ADA (0.59) ADAHTR3A
Hydrochloric Acid SCHEMBL4582966 0.90 ADA (0.56) ADAHTR3AKDM4ENPC1ALDH1A1
Hydrochloric Acid SCHEMBL4583285 0.89 ADA (0.67) ADAHTR3AIKBKBKDM4ENPC1
SCHEMBL4584358 0.89 ADA (0.49) ADAHTR3AIKBKBMAPTTP53

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.