SCHEMBL6134089

SCHEMBL6134089

NC(=O)c1cn(C[C@@H](O)CCCc2ccccc2OCc2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.39
PRMT1 Q99873 2/20 0.39
ADA P00813 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
PTGER1 P34995 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
ACLY P53396 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPRC P08575 1/20 0.34
PTPN1 P18031 1/20 0.34
SLC1A5 Q15758 2/20 0.34

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
SCHEMBL6133481 0.93 ADA (0.36) CARM1PRMT1ADANPC1RAB9A
Hydrochloric Acid SCHEMBL6134584 0.90 SLC1A5 (0.42) CARM1PRMT1ADAMAPTPTGER1
SCHEMBL6133343 0.89 ADA (0.42) ADAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6170939 0.88 ADA (0.45) ADAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6134115 0.87 PTGER1 (0.39) ADAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6133437 0.87 PTGER1 (0.42) CARM1PRMT1ADAPTGER1PTGER4
SCHEMBL6133845 0.86 ADA (0.41) ADAPTGER1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL6134427 0.86 PTGER1 (0.39) ADANPC1RAB9APTGER1PTGER4
SCHEMBL6134135 0.86 ADA (0.39) ADAPTGER1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL6134353 0.85 PARP1 (0.39) ADAPTGER1PTGER4PTGER3PTGER2

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 3 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

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 CARM1 343/4885PRMT1 221/4885ADA 1/4885

“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.