SCHEMBL6133481

SCHEMBL6133481

NC(=O)c1cn(C[C@@H](O)CCCc2ccccc2OCCOCc2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADA P00813 9/20 0.36
NPSR1 Q6W5P4 1/20 0.34
REN P00797 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT1 Q99873 1/20 0.33
LPAR1 Q92633 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
CCR2 P41597 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
SCHEMBL6134089 0.93 CARM1 (0.39) ADANPSR1CARM1PRMT1LPAR1
SCHEMBL6133502 0.84 ADA (0.43) ADALPAR1
Hydrochloric Acid SCHEMBL6134584 0.82 SLC1A5 (0.42) ADACARM1PRMT1MAPT
SCHEMBL6172343 0.82 ADA (0.47) ADALPAR1
Hydrochloric Acid SCHEMBL6133494 0.82 ADA (0.39) ADA
SCHEMBL6133343 0.82 ADA (0.42) ADALPAR1
SCHEMBL6170939 0.81 ADA (0.45) ADALPAR1
SCHEMBL6133479 0.81 ADA (0.59) ADACARM1PRMT1
SCHEMBL6133737 0.81 ADA (0.42) ADALPAR1
Hydrochloric Acid SCHEMBL6134427 0.81 PTGER1 (0.39) ADANPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908940-B2 Imidazole compounds and their use as adenosine deaminase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-21 US claimed
US-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-05-20 US claimed
US-6908940-B2 Imidazole compounds and their use as adenosine deaminase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-21 US disclosed
US-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-05-20 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-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ADA, AMPD2, AMPD1 ADA 1/4885NPSR1 4106/4885REN 2250/4885

“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.