SCHEMBL6495659

SCHEMBL6495659

COc1cc(NC(C)=O)c(SCC(=O)c2ccccc2)cc1-c1cnco1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 15/20 0.54
AAK1 Q2M2I8 4/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
IMPDH1 P20839 1/20 0.43

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
SCHEMBL6481735 0.81 IMPDH2 (0.53) IMPDH2AAK1MEN1KMT2AROCK2
SCHEMBL6493900 0.77 IMPDH2 (0.47) IMPDH2AAK1IMPDH1
SCHEMBL16388849 0.76 IMPDH2 (0.53) IMPDH2AAK1ROCK2ROCK1IMPDH1
SCHEMBL16388848 0.74 IMPDH2 (0.52) IMPDH2AAK1IMPDH1
SCHEMBL16388850 0.72 IMPDH2 (0.49) IMPDH2AAK1IMPDH1
SCHEMBL1474411 0.71 IMPDH2 (1.00) IMPDH2AAK1IMPDH1
SCHEMBL14518615 0.70 IMPDH2 (0.74) IMPDH2AAK1IMPDH1
SCHEMBL15741660 0.69 IMPDH2 (0.76) IMPDH2AAK1ROCK2ROCK1IMPDH1
SCHEMBL6483095 0.69 IMPDH2 (0.52) IMPDH2AAK1IMPDH1
SCHEMBL3995894 0.68 IMPDH2 (0.82) IMPDH2AAK1IMPDH1

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-6919335-B2 Administering a therapeutically effective amount of a heterocyclic compound to the patient for the treatment of inosine monophosphate dehydrogenase associated disorders, such as allograft rejection BRISTOL-MYERS SQUIBB CO. (US) 2005-07-19 US disclosed
EP-1276739-A2 HETEROCYCLES THAT ARE INHIBITORS OF IMPDH ENZYME Bristol-Myers Squibb Company (US) 2003-01-22 EP disclosed
US-20020040022-A1 Heterocycles that are inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2002-04-04 US disclosed
WO-2001081340-A2 HETEROCYCLES THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-01 WO 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-20020040022-A1 Heterocycles that are inhibitors of IMPDH enzyme XDH, IMPDH1, IMPDH2 IMPDH2 3/4885AAK1 4153/4885MEN1 2132/4885

“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.