SCHEMBL6133565

SCHEMBL6133565

NC(=O)c1cn(C[C@@H](O)CCCc2ccccc2OCc2ccc(-c3csnn3)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
CARM1 Q86X55 2/20 0.34
PRMT1 Q99873 2/20 0.34
P2RX3 P56373 3/20 0.34
ADA P00813 3/20 0.34
MGLL Q99685 1/20 0.33
PTPN1 P18031 5/20 0.33
PHF8 Q9UPP1 1/20 0.33
CTSD P07339 1/20 0.32
LPAR1 Q92633 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
SCHEMBL6133437 0.88 PTGER1 (0.42) PTGER1PTGER4PTGER3PTGER2CARM1
SCHEMBL6134056 0.87 PTGER1 (0.37) PTGER1PTGER4PTGER3PTGER2CARM1
SCHEMBL6170939 0.86 ADA (0.45) PTGER1PTGER4PTGER3PTGER2ADA
SCHEMBL6134148 0.84 ADA (0.36) PTGER1PTGER4PTGER3PTGER2CARM1
Hydrochloric Acid SCHEMBL6134427 0.83 PTGER1 (0.39) NPC1RAB9ASMN1; SMN2PTGER1PTGER4
Hydrochloric Acid SCHEMBL6134584 0.83 SLC1A5 (0.42) POLBKMT2ASMN1; SMN2PTGER1PTGER4
Hydrochloric Acid SCHEMBL6133168 0.83 PTGER1 (0.40) PTGER1PTGER4PTGER3PTGER2ADA
SCHEMBL6134115 0.83 PTGER1 (0.39) PTGER1PTGER4PTGER3PTGER2ADA
SCHEMBL6133407 0.83 PTGER1 (0.41) PTGER1PTGER4PTGER3PTGER2ADA
Hydrochloric Acid SCHEMBL6133512 0.82 ABCB1 (0.44) NPC1RAB9APTGER1PTGER4PTGER3

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 MEN1 3124/4885NPC1 1160/4885POLB 839/4885

“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.