SCHEMBL4585784

SCHEMBL4585784

C[C@@H](CCC(c1ccc2oc(-c3ccc(Cl)cc3)nc2c1)n1cnc(C(N)=O)c1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 3/20 0.49
MAOA P21397 1/20 0.47
ADRA1A P35348 1/20 0.47
CASP3 P42574 4/20 0.38
SENP7 Q9BQF6 3/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAPT P10636 4/20 0.37
CETP P11597 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL4585376 0.88 ADA (0.57) ADAMAOAADRA1ACASP3SENP7
Hydrochloric Acid SCHEMBL4585588 0.87 ADA (0.56) ADAMAOAADRA1ACASP3SENP7
SCHEMBL4585451 0.84 ADA (0.59) ADAMAOAADRA1AKDM4EMEN1
SCHEMBL4584977 0.84 ADA (0.59) ADACETP
SCHEMBL4585781 0.82 ADA (0.57) ADAMAOAADRA1ACASP3SENP7
SCHEMBL4585444 0.79 ADA (0.49) ADAMAPT
SCHEMBL5672354 0.78 ADA (0.50) ADAMAOAADRA1AMAPTCETP
SCHEMBL4584144 0.78 ADA (0.50) ADAMAPTNPC1RAB9ATP53
SCHEMBL4584056 0.77 ADA (0.50) ADACETPNPC1RAB9A
SCHEMBL4583749 0.76 ADA (0.49) ADA

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 1/4885MAOA 84/4885ADRA1A 498/4885

“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.