SCHEMBL4585370

SCHEMBL4585370

C[C@H](O)[C@@H](CCc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)n1cnc(C(N)=O)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADA P00813 5/20 0.72
MAOA P21397 1/20 0.46
ADRA1A P35348 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 4/20 0.42
SENP7 Q9BQF6 3/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KDR P35968 2/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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 SCHEMBL4585585 0.99 ADA (0.71) ADAMAOAADRA1ANPC1RAB9A
SCHEMBL4585781 0.88 ADA (0.57) ADAMAOAADRA1ANPC1RAB9A
SCHEMBL4583432 0.84 ADA (1.00) ADA
SCHEMBL21067823 0.84 ADA (1.00) ADA
Hydrochloric Acid SCHEMBL4583283 0.83 ADA (0.98) ADAMAOAADRA1ANPC1RAB9A
SCHEMBL5673312 0.83 ADA (0.63) ADAMAOAADRA1A
SCHEMBL4585376 0.81 ADA (0.57) ADAMAOAADRA1ANPC1RAB9A
Hydrochloric Acid SCHEMBL4585588 0.81 ADA (0.56) ADAMAOAADRA1ANPC1RAB9A
SCHEMBL4583479 0.78 ADA (0.85) ADAMAPT
SCHEMBL4584370 0.77 ADA (0.84) ADAMAPTTP53

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.