SCHEMBL4584144

SCHEMBL4584144

C[C@@H](CCC(c1cccc2oc(-c3cccc(Cl)c3)nc12)n1cnc(C(N)=O)c1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADA P00813 10/20 0.50
IKBKB O14920 1/20 0.35
MAPT P10636 1/20 0.33
AVPR1B P47901 1/20 0.32
PKM P14618 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
SLC9A1 P19634 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4585451 0.93 ADA (0.59) ADAIKBKB
SCHEMBL4585444 0.92 ADA (0.49) ADAMAPT
SCHEMBL4583749 0.92 ADA (0.49) ADA
SCHEMBL4582655 0.88 ADA (0.51) ADANPC1RAB9A
SCHEMBL4583484 0.88 ADA (0.57) ADAIKBKBMAPTAVPR1BPKM
SCHEMBL4584805 0.88 ADA (0.49) ADAMAPTTP53THRB
SCHEMBL4584358 0.88 ADA (0.49) ADAIKBKBMAPTTP53
Hydrochloric Acid SCHEMBL4584745 0.87 ADA (0.56) ADAIKBKBMAPTAVPR1BPKM
SCHEMBL4584014 0.86 ADA (0.48) ADAMAPTTP53RAB9A
SCHEMBL4584138 0.82 ADA (0.67) ADAIKBKBMAPTAVPR1BPKM

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 1/4885IKBKB 564/4885MAPT 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.