SCHEMBL4584649

SCHEMBL4584649

COc1ccc(-c2nc3cccc(C(CC[C@H](C)O[Si](C)(C)C(C)(C)C)n4cnc(C(N)=O)c4)c3o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADA P00813 12/20 0.49
HTR3A P46098 1/20 0.38
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
IKBKB O14920 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
PARP1 P09874 1/20 0.33
MET P08581 1/20 0.33
CEPT1 Q9Y6K0 1/20 0.32
THRB P10828 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL4584056 0.93 ADA (0.50) ADAIKBKBNPC1RAB9ACEPT1
SCHEMBL4584977 0.92 ADA (0.59) ADAHTR3ACEPT1
SCHEMBL4585499 0.89 ADA (0.55) ADAHTR3AMAPTSMN1; SMN2IKBKB
SCHEMBL4584358 0.88 ADA (0.49) ADAHTR3AMAPTIKBKBPARP1
Hydrochloric Acid SCHEMBL4582809 0.88 ADA (0.54) ADAHTR3AMAPTSMN1; SMN2IKBKB
SCHEMBL4585295 0.86 ADA (0.44) ADAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4584389 0.83 ADA (0.41) ADA
SCHEMBL4584396 0.83 ADA (0.40) ADAIKBKB
SCHEMBL4584805 0.82 ADA (0.49) ADAHTR3AMAPTKDM4EALDH1A1
SCHEMBL4584642 0.82 ADA (0.65) ADAHTR3AMAPTSMN1; SMN2IKBKB

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 747/4885MAPT 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.