SCHEMBL4584371

SCHEMBL4584371

C[C@H](O)CCC(c1cccc2oc(-c3ccc(Cl)c(Cl)c3)nc12)n1cnc(C(N)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADA P00813 9/20 0.56
MAPT P10636 3/20 0.35
PKM P14618 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4583484 0.91 ADA (0.57) ADAMAPTPKMNPC1RAB9A
Hydrochloric Acid SCHEMBL4584745 0.90 ADA (0.56) ADAMAPTPKMNPC1RAB9A
Hydrochloric Acid SCHEMBL4583285 0.90 ADA (0.67) ADAALDH1A1NPC1HPGDRAB9A
SCHEMBL4583695 0.88 ADA (0.57) ADAPKMALDH1A1NPC1RAB9A
SCHEMBL4585444 0.88 ADA (0.49) ADAMAPT
SCHEMBL4582826 0.88 ADA (0.59) ADA
Hydrochloric Acid SCHEMBL4582966 0.88 ADA (0.56) ADAPKMALDH1A1NPC1RAB9A
SCHEMBL4583595 0.86 ADA (0.55) ADAMAPTALDH1A1NPC1HPGD
SCHEMBL4583380 0.86 ADA (0.55) ADAMAPTALDH1A1NPC1HPGD
Hydrochloric Acid SCHEMBL4583542 0.85 ADA (0.54) ADAMAPTALDH1A1NPC1HPGD

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 1/4885MAPT 4738/4885PKM 3152/4885

“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.